2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide

C28H31N3O5S — CID 126035456

IUPAC2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H31N3O5S/c1-36-23-18-16-22(17-19-23)31(37(34,35)24-12-6-3-7-13-24)20-27(32)30-26-15-9-8-14-25(26)28(33)29-21-10-4-2-5-11-21/h3,6-9,12-19,21H,2,4-5,10-11,20H2,1H3,(H,29,33)(H,30,32)
InChIKeyXJQUTJBWHXIMPT-UHFFFAOYSA-N
MW521.64 g/mol
LogP4.59
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide

2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 126035456) has the molecular formula C28H31N3O5S and a molecular weight of 521.64 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
PubChem CID126035456
Molecular FormulaC28H31N3O5S
Molecular Weight521.64 g/mol
Exact Mass521.20
IUPAC Name2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H31N3O5S/c1-36-23-18-16-22(17-19-23)31(37(34,35)24-12-6-3-7-13-24)20-27(32)30-26-15-9-8-14-25(26)28(33)29-21-10-4-2-5-11-21/h3,6-9,12-19,21H,2,4-5,10-11,20H2,1H3,(H,29,33)(H,30,32)
InChIKeyXJQUTJBWHXIMPT-UHFFFAOYSA-N
XLogP4.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145348
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
CID 1311166
N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 43899793
N-butyl-2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 21372544
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide (CID 126035456) is 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide is COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is XJQUTJBWHXIMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5S/c1-36-23-18-16-22(17-19-23)31(37(34,35)24-12-6-3-7-13-24)20-27(32)30-26-15-9-8-14-25(26)28(33)29-21-10-4-2-5-11-21/h3,6-9,12-19,21H,2,4-5,10-11,20H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 521.64 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 126035456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).