2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

C27H31N3O4S — CID 126126509

IUPAC2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H31N3O4S/c1-19(2)17-28-27(32)23-12-8-9-13-24(23)29-26(31)18-30(25-16-20(3)14-15-21(25)4)35(33,34)22-10-6-5-7-11-22/h5-16,19H,17-18H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyUZMJQRMWYMEEFO-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.52
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 126126509) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID126126509
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H31N3O4S/c1-19(2)17-28-27(32)23-12-8-9-13-24(23)29-26(31)18-30(25-16-20(3)14-15-21(25)4)35(33,34)22-10-6-5-7-11-22/h5-16,19H,17-18H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyUZMJQRMWYMEEFO-UHFFFAOYSA-N
XLogP4.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139978
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145187
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126119507
2-[[2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126123434
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 23795569
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17201133
2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126120794
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139167
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126412634
N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126146243

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 126126509) is 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is UZMJQRMWYMEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19(2)17-28-27(32)23-12-8-9-13-24(23)29-26(31)18-30(25-16-20(3)14-15-21(25)4)35(33,34)22-10-6-5-7-11-22/h5-16,19H,17-18H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 493.63 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 126126509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).