N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen

C141H186Cl2F3N19O19S7 — CID 159478747

IUPACN-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCCCc1ccc(NC(=O)c2ccc(CNS(=O)(=O)C(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(CS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1.[H][H]
InChIInChI=1S/C21H26ClNO2S.C21H30N4O3S.C21H28N2O3S.C20H25ClN2O2S.C20H26N2O3S.C19H23F3N4O3S.C19H26N4O3S.H2/c1-4-5-6-16-9-13-19(14-10-16)23-20(24)18-11-7-17(8-12-18)15-26(25)21(2,3)22;1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-4-5-6-17-9-13-20(14-10-17)23-21(24)19-11-7-18(8-12-19)15-22-27(25,26)16(2)3;1-4-5-6-15-7-11-17(12-8-15)22-19(24)16-9-13-18(14-10-16)23-26(25)20(2,3)21;1-4-5-7-16-10-12-18(13-11-16)21-20(23)17-8-6-9-19(14-17)22-26(24,25)15(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-5-6-7-15-8-10-16(11-9-15)22-18(24)17-12-20-19(21-14(17)4)23-27(25,26)13(2)3;/h7-14H,4-6,15H2,1-3H3,(H,23,24);10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);7-14,16,22H,4-6,15H2,1-3H3,(H,23,24);7-14,23H,4-6H2,1-3H3,(H,22,24);6,8-15,22H,4-5,7H2,1-3H3,(H,21,23);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);8-13H,5-7H2,1-4H3,(H,22,24)(H,20,21,23);1H
InChIKeyLWSNBMIXPQCSNH-UHFFFAOYSA-N
MW2803.52 g/mol
LogP31.57
Rot. Bonds59

About N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen

N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 159478747) has the molecular formula C141H186Cl2F3N19O19S7 and a molecular weight of 2803.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen
PubChem CID159478747
Molecular FormulaC141H186Cl2F3N19O19S7
Molecular Weight2803.52 g/mol
Exact Mass2800.15
IUPAC NameN-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCCCc1ccc(NC(=O)c2ccc(CNS(=O)(=O)C(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(CS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1.[H][H]
InChIInChI=1S/C21H26ClNO2S.C21H30N4O3S.C21H28N2O3S.C20H25ClN2O2S.C20H26N2O3S.C19H23F3N4O3S.C19H26N4O3S.H2/c1-4-5-6-16-9-13-19(14-10-16)23-20(24)18-11-7-17(8-12-18)15-26(25)21(2,3)22;1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-4-5-6-17-9-13-20(14-10-17)23-21(24)19-11-7-18(8-12-19)15-22-27(25,26)16(2)3;1-4-5-6-15-7-11-17(12-8-15)22-19(24)16-9-13-18(14-10-16)23-26(25)20(2,3)21;1-4-5-7-16-10-12-18(13-11-16)21-20(23)17-8-6-9-19(14-17)22-26(24,25)15(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-5-6-7-15-8-10-16(11-9-15)22-18(24)17-12-20-19(21-14(17)4)23-27(25,26)13(2)3;/h7-14H,4-6,15H2,1-3H3,(H,23,24);10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);7-14,16,22H,4-6,15H2,1-3H3,(H,23,24);7-14,23H,4-6H2,1-3H3,(H,22,24);6,8-15,22H,4-5,7H2,1-3H3,(H,21,23);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);8-13H,5-7H2,1-4H3,(H,22,24)(H,20,21,23);1H
InChIKeyLWSNBMIXPQCSNH-UHFFFAOYSA-N
XLogP31.57
TPSA558.06 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds59
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002803.52
LogP ≤ 531.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-(1,1-difluoroethyl)pyrimidin-2-amine;1-(1-benzylpiperidin-4-yl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea;N-(1-benzylpiperidin-4-yl)-2-phenylbutanamide;1-[[2-[(ethenylsulfonylamino)methyl]phenyl]methyl]-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-[[3-(2-ethenylsulfonylethyl)phenyl]methyl]-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 158419539
1-butyl-4-[2-[4-(2-chloropropan-2-ylsulfinylmethyl)phenyl]ethyl]benzene;5-[2-(4-butylphenyl)ethyl]-4-methyl-2-(propan-2-ylsulfonylmethyl)pyrimidine;N-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-chloro-N-methylpropane-2-sulfinamide;N-[3-[2-(4-butylphenyl)ethyl]phenyl]propane-2-sulfonamide;5-[2-(4-butylphenyl)ethyl]-2-(propan-2-ylsulfonylmethyl)-4-propylpyrimidine;5-[2-(4-butylphenyl)ethyl]-2-(propan-2-ylsulfonylmethyl)-4-(trifluoromethyl)pyrimidine;1-butyl-4-[2-[4-(2-propan-2-ylsulfonylethyl)phenyl]ethyl]benzene
CID 158863234
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159334248
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-[2-chloropropan-2-ylsulfinyl(methyl)amino]benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159414452
1-butyl-4-[2-[4-(2-chloropropan-2-ylsulfinylmethyl)phenyl]ethyl]benzene;5-[2-(4-butylphenyl)ethyl]-4-methyl-2-(propan-2-ylsulfonylmethyl)pyrimidine;N-[4-[2-(4-butylphenyl)ethyl]phenyl]-2-chloro-N-methylpropane-2-sulfinamide;N-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]propane-2-sulfonamide;N-[3-[2-(4-butylphenyl)ethyl]phenyl]propane-2-sulfonamide;5-[2-(4-butylphenyl)ethyl]-2-(propan-2-ylsulfonylmethyl)-4-propylpyrimidine;5-[2-(4-butylphenyl)ethyl]-2-(propan-2-ylsulfonylmethyl)-4-(trifluoromethyl)pyrimidine
CID 161561011
CID 161773972
CID 161773972
4-[[4-[3-(tert-butylsulfonylmethyl)anilino]-5-methylpyrimidin-2-yl]amino]-2-fluoro-N-[1-[3-[[3-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]methylsulfonyl]-3-methylbutyl]piperidin-4-yl]benzamide
CID 166847982
Dabrafenib Impurity 52
CID 178245600
tris(4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide);1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]urea
CID 160004540

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen (CID 159478747) is N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen is CCCCc1ccc(NC(=O)c2ccc(CNS(=O)(=O)C(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(CS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1.[H][H].
What is the InChIKey of N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is LWSNBMIXPQCSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2S.C21H30N4O3S.C21H28N2O3S.C20H25ClN2O2S.C20H26N2O3S.C19H23F3N4O3S.C19H26N4O3S.H2/c1-4-5-6-16-9-13-19(14-10-16)23-20(24)18-11-7-17(8-12-18)15-26(25)21(2,3)22;1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-4-5-6-17-9-13-20(14-10-17)23-21(24)19-11-7-18(8-12-19)15-22-27(25,26)16(2)3;1-4-5-6-15-7-11-17(12-8-15)22-19(24)16-9-13-18(14-10-16)23-26(25)20(2,3)21;1-4-5-7-16-10-12-18(13-11-16)21-20(23)17-8-6-9-19(14-17)22-26(24,25)15(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-5-6-7-15-8-10-16(11-9-15)22-18(24)17-12-20-19(21-14(17)4)23-27(25,26)13(2)3;/h7-14H,4-6,15H2,1-3H3,(H,23,24);10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);7-14,16,22H,4-6,15H2,1-3H3,(H,23,24);7-14,23H,4-6H2,1-3H3,(H,22,24);6,8-15,22H,4-5,7H2,1-3H3,(H,21,23);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);8-13H,5-7H2,1-4H3,(H,22,24)(H,20,21,23);1H.
What are the key properties of N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen?
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 2803.52 g/mol, XLogP of 31.57, 59 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 159478747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).