N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide

C31H27N3O4S — CID 58975151

IUPACN,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(-c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C31H27N3O4S/c1-33(2)31(36)25-14-12-22(13-15-25)20-32-30(35)24-16-18-26(19-17-24)39(37,38)34-21-28(23-8-4-3-5-9-23)27-10-6-7-11-29(27)34/h3-19,21H,20H2,1-2H3,(H,32,35)
InChIKeyXYFYDDMELIBPKM-UHFFFAOYSA-N
MW537.64 g/mol
LogP5.18
Rot. Bonds7

About N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide

N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide (PubChem CID 58975151) has the molecular formula C31H27N3O4S and a molecular weight of 537.64 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
PubChem CID58975151
Molecular FormulaC31H27N3O4S
Molecular Weight537.64 g/mol
Exact Mass537.17
IUPAC NameN,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(-c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C31H27N3O4S/c1-33(2)31(36)25-14-12-22(13-15-25)20-32-30(35)24-16-18-26(19-17-24)39(37,38)34-21-28(23-8-4-3-5-9-23)27-10-6-7-11-29(27)34/h3-19,21H,20H2,1-2H3,(H,32,35)
InChIKeyXYFYDDMELIBPKM-UHFFFAOYSA-N
XLogP5.18
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.64
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58975055
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855813
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 58975029
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
N-[(4-fluorophenyl)methyl]-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]sulfonylbenzamide
CID 58975028
N-[1-(4-methylphenyl)azetidin-3-yl]-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855815
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975205
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
1-[4-(3-bromoindol-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 54220929
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide (CID 58975151) is N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(-c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide?
The InChIKey is XYFYDDMELIBPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4S/c1-33(2)31(36)25-14-12-22(13-15-25)20-32-30(35)24-16-18-26(19-17-24)39(37,38)34-21-28(23-8-4-3-5-9-23)27-10-6-7-11-29(27)34/h3-19,21H,20H2,1-2H3,(H,32,35).
What are the key properties of N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide?
N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide has a molecular weight of 537.64 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide is sourced from PubChem (CID 58975151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).