N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide

C109H118Cl4F3N11O20S6 — CID 158686578

IUPACN-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=O)COCCCCN(C/C=C/c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(CCOc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)c1ccc(CCCN(CCOc2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1
InChIInChI=1S/C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C19H22F3NO4S2.C17H23Cl2NO4S/c1-20(31)15-22-5-2-6-23(16-22)19-30(34(32,33)25-7-3-12-27-17-25)18-21-8-10-24(11-9-21)26-28-13-4-14-29-26;1-19(28)18-31-23-7-4-6-21(14-23)17-27(32(29,30)24-8-5-13-25-15-24)16-20-9-11-22(12-10-20)26(2)3;1-17(28)16-32-21-5-2-4-18(10-21)15-27(33(29,30)23-6-3-7-26-14-23)8-9-31-22-12-19(24)11-20(25)13-22;1-14(24)18-9-8-17(28-18)7-4-10-23(29(2,25)26)11-12-27-16-6-3-5-15(13-16)19(20,21)22;1-14(21)13-24-9-4-3-7-20(25(2,22)23)8-5-6-15-10-16(18)12-17(19)11-15/h2-14,16-17H,15,18-19H2,1H3;4-15H,16-18H2,1-3H3;2-7,10-14H,8-9,15-16H2,1H3;3,5-6,8-9,13H,4,7,10-12H2,1-2H3;5-6,10-12H,3-4,7-9,13H2,1-2H3/b;;;;6-5+
InChIKeyIFUVFXRKMCEALV-XGCMBJNFSA-N
MW2293.41 g/mol
LogP20.09
Rot. Bonds51

About N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide

N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 158686578) has the molecular formula C109H118Cl4F3N11O20S6 and a molecular weight of 2293.41 g/mol. Its IUPAC name is N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID158686578
Molecular FormulaC109H118Cl4F3N11O20S6
Molecular Weight2293.41 g/mol
Exact Mass2289.56
IUPAC NameN-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=O)COCCCCN(C/C=C/c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(CCOc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)c1ccc(CCCN(CCOc2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1
InChIInChI=1S/C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C19H22F3NO4S2.C17H23Cl2NO4S/c1-20(31)15-22-5-2-6-23(16-22)19-30(34(32,33)25-7-3-12-27-17-25)18-21-8-10-24(11-9-21)26-28-13-4-14-29-26;1-19(28)18-31-23-7-4-6-21(14-23)17-27(32(29,30)24-8-5-13-25-15-24)16-20-9-11-22(12-10-20)26(2)3;1-17(28)16-32-21-5-2-4-18(10-21)15-27(33(29,30)23-6-3-7-26-14-23)8-9-31-22-12-19(24)11-20(25)13-22;1-14(24)18-9-8-17(28-18)7-4-10-23(29(2,25)26)11-12-27-16-6-3-5-15(13-16)19(20,21)22;1-14(21)13-24-9-4-3-7-20(25(2,22)23)8-5-6-15-10-16(18)12-17(19)11-15/h2-14,16-17H,15,18-19H2,1H3;4-15H,16-18H2,1-3H3;2-7,10-14H,8-9,15-16H2,1H3;3,5-6,8-9,13H,4,7,10-12H2,1-2H3;5-6,10-12H,3-4,7-9,13H2,1-2H3/b;;;;6-5+
InChIKeyIFUVFXRKMCEALV-XGCMBJNFSA-N
XLogP20.09
TPSA386.09 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds51
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.41
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 91044254
N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158402863
N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)
CID 159464242

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (CID 158686578) is N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide is CC(=O)COCCCCN(C/C=C/c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(CCOc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)c1ccc(CCCN(CCOc2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1.
What is the InChIKey of N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is IFUVFXRKMCEALV-XGCMBJNFSA-N. The full InChI is InChI=1S/C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C19H22F3NO4S2.C17H23Cl2NO4S/c1-20(31)15-22-5-2-6-23(16-22)19-30(34(32,33)25-7-3-12-27-17-25)18-21-8-10-24(11-9-21)26-28-13-4-14-29-26;1-19(28)18-31-23-7-4-6-21(14-23)17-27(32(29,30)24-8-5-13-25-15-24)16-20-9-11-22(12-10-20)26(2)3;1-17(28)16-32-21-5-2-4-18(10-21)15-27(33(29,30)23-6-3-7-26-14-23)8-9-31-22-12-19(24)11-20(25)13-22;1-14(24)18-9-8-17(28-18)7-4-10-23(29(2,25)26)11-12-27-16-6-3-5-15(13-16)19(20,21)22;1-14(21)13-24-9-4-3-7-20(25(2,22)23)8-5-6-15-10-16(18)12-17(19)11-15/h2-14,16-17H,15,18-19H2,1H3;4-15H,16-18H2,1-3H3;2-7,10-14H,8-9,15-16H2,1H3;3,5-6,8-9,13H,4,7,10-12H2,1-2H3;5-6,10-12H,3-4,7-9,13H2,1-2H3/b;;;;6-5+.
What are the key properties of N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 2293.41 g/mol, XLogP of 20.09, 51 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 158686578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).