4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

C95H113F3N10O17S4 — CID 157376199

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1.CC1CC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1C
InChIInChI=1S/C26H22F3N3O5S.C25H34N2O3S.C24H32N2O5S.C20H25N3O4S/c1-25(2,3)38(36,37)31-17-8-4-15(5-9-17)22(33)30-18-10-13-20-21(14-18)24(35)32(23(20)34)19-11-6-16(7-12-19)26(27,28)29;1-17-7-6-8-23(18(17)2)19-9-13-21(14-10-19)26-24(28)20-11-15-22(16-12-20)27-31(29,30)25(3,4)5;1-16-14-22(15-17(2)30-16)31-21-12-10-19(11-13-21)25-23(27)18-6-8-20(9-7-18)26-32(28,29)24(3,4)5;1-15(2)28(25,26)22-17-8-6-16(7-9-17)20(24)21-18-4-3-5-19(14-18)23-10-12-27-13-11-23/h4-14,31H,1-3H3,(H,30,33);9-18,23,27H,6-8H2,1-5H3,(H,26,28);6-13,16-17,22,26H,14-15H2,1-5H3,(H,25,27);3-9,14-15,22H,10-13H2,1-2H3,(H,21,24)
InChIKeyBKIVYNIWJMRTHL-UHFFFAOYSA-N
MW1852.26 g/mol
LogP19.06
Rot. Bonds22

About 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 157376199) has the molecular formula C95H113F3N10O17S4 and a molecular weight of 1852.26 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID157376199
Molecular FormulaC95H113F3N10O17S4
Molecular Weight1852.26 g/mol
Exact Mass1850.71
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1.CC1CC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1C
InChIInChI=1S/C26H22F3N3O5S.C25H34N2O3S.C24H32N2O5S.C20H25N3O4S/c1-25(2,3)38(36,37)31-17-8-4-15(5-9-17)22(33)30-18-10-13-20-21(14-18)24(35)32(23(20)34)19-11-6-16(7-12-19)26(27,28)29;1-17-7-6-8-23(18(17)2)19-9-13-21(14-10-19)26-24(28)20-11-15-22(16-12-20)27-31(29,30)25(3,4)5;1-16-14-22(15-17(2)30-16)31-21-12-10-19(11-13-21)25-23(27)18-6-8-20(9-7-18)26-32(28,29)24(3,4)5;1-15(2)28(25,26)22-17-8-6-16(7-9-17)20(24)21-18-4-3-5-19(14-18)23-10-12-27-13-11-23/h4-14,31H,1-3H3,(H,30,33);9-18,23,27H,6-8H2,1-5H3,(H,26,28);6-13,16-17,22,26H,14-15H2,1-5H3,(H,25,27);3-9,14-15,22H,10-13H2,1-2H3,(H,21,24)
InChIKeyBKIVYNIWJMRTHL-UHFFFAOYSA-N
XLogP19.06
TPSA369.39 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.26
LogP ≤ 519.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (CID 157376199) is 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1.CC1CC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1C.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is BKIVYNIWJMRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O5S.C25H34N2O3S.C24H32N2O5S.C20H25N3O4S/c1-25(2,3)38(36,37)31-17-8-4-15(5-9-17)22(33)30-18-10-13-20-21(14-18)24(35)32(23(20)34)19-11-6-16(7-12-19)26(27,28)29;1-17-7-6-8-23(18(17)2)19-9-13-21(14-10-19)26-24(28)20-11-15-22(16-12-20)27-31(29,30)25(3,4)5;1-16-14-22(15-17(2)30-16)31-21-12-10-19(11-13-21)25-23(27)18-6-8-20(9-7-18)26-32(28,29)24(3,4)5;1-15(2)28(25,26)22-17-8-6-16(7-9-17)20(24)21-18-4-3-5-19(14-18)23-10-12-27-13-11-23/h4-14,31H,1-3H3,(H,30,33);9-18,23,27H,6-8H2,1-5H3,(H,26,28);6-13,16-17,22,26H,14-15H2,1-5H3,(H,25,27);3-9,14-15,22H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 1852.26 g/mol, XLogP of 19.06, 22 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]benzamide;N-(3-morpholin-4-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 157376199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).