N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C29H26ClN3O4S — CID 23823171

IUPACN-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H26ClN3O4S/c1-21-11-17-25(18-12-21)38(36,37)33(24-15-13-23(30)14-16-24)20-28(34)32-27-10-6-5-9-26(27)29(35)31-19-22-7-3-2-4-8-22/h2-18H,19-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyOUKBVQWIVCEFIJ-UHFFFAOYSA-N
MW548.06 g/mol
LogP5.41
Rot. Bonds9

About N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 23823171) has the molecular formula C29H26ClN3O4S and a molecular weight of 548.06 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID23823171
Molecular FormulaC29H26ClN3O4S
Molecular Weight548.06 g/mol
Exact Mass547.13
IUPAC NameN-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H26ClN3O4S/c1-21-11-17-25(18-12-21)38(36,37)33(24-15-13-23(30)14-16-24)20-28(34)32-27-10-6-5-9-26(27)29(35)31-19-22-7-3-2-4-8-22/h2-18H,19-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyOUKBVQWIVCEFIJ-UHFFFAOYSA-N
XLogP5.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.06
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362
N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126031695
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-benzylbenzamide
CID 126032953
2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]-N-benzylbenzamide
CID 126035787
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126034892
N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126031358
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 23823171) is N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is OUKBVQWIVCEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O4S/c1-21-11-17-25(18-12-21)38(36,37)33(24-15-13-23(30)14-16-24)20-28(34)32-27-10-6-5-9-26(27)29(35)31-19-22-7-3-2-4-8-22/h2-18H,19-20H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 548.06 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 23823171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).