2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide

C30H29N3O4S — CID 126126465

IUPAC2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H29N3O4S/c1-23-11-10-14-25(21-23)33(38(36,37)26-15-6-3-7-16-26)22-29(34)32-28-18-9-8-17-27(28)30(35)31-20-19-24-12-4-2-5-13-24/h2-18,21H,19-20,22H2,1H3,(H,31,35)(H,32,34)
InChIKeyRZFBSCNPLGNJSX-UHFFFAOYSA-N
MW527.65 g/mol
LogP4.80
Rot. Bonds10

About 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 126126465) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID126126465
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC Name2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H29N3O4S/c1-23-11-10-14-25(21-23)33(38(36,37)26-15-6-3-7-16-26)22-29(34)32-28-18-9-8-17-27(28)30(35)31-20-19-24-12-4-2-5-13-24/h2-18,21H,19-20,22H2,1H3,(H,31,35)(H,32,34)
InChIKeyRZFBSCNPLGNJSX-UHFFFAOYSA-N
XLogP4.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-butylbenzamide
CID 21371714
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126135286
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]-N-propylbenzamide
CID 21372646
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126412634
2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 3652560
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126319908
2-[[2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 5186613
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide (CID 126126465) is 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide is Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is RZFBSCNPLGNJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-23-11-10-14-25(21-23)33(38(36,37)26-15-6-3-7-16-26)22-29(34)32-28-18-9-8-17-27(28)30(35)31-20-19-24-12-4-2-5-13-24/h2-18,21H,19-20,22H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 527.65 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 126126465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).