2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide

C28H30ClN3O5S — CID 126030244

IUPAC2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H30ClN3O5S/c1-37-26-17-16-20(29)18-25(26)32(38(35,36)22-12-6-3-7-13-22)19-27(33)31-24-15-9-8-14-23(24)28(34)30-21-10-4-2-5-11-21/h3,6-9,12-18,21H,2,4-5,10-11,19H2,1H3,(H,30,34)(H,31,33)
InChIKeyAZXMNACYEKMCEO-UHFFFAOYSA-N
MW556.08 g/mol
LogP5.25
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide

2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 126030244) has the molecular formula C28H30ClN3O5S and a molecular weight of 556.08 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
PubChem CID126030244
Molecular FormulaC28H30ClN3O5S
Molecular Weight556.08 g/mol
Exact Mass555.16
IUPAC Name2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H30ClN3O5S/c1-37-26-17-16-20(29)18-25(26)32(38(35,36)22-12-6-3-7-13-22)19-27(33)31-24-15-9-8-14-23(24)28(34)30-21-10-4-2-5-11-21/h3,6-9,12-18,21H,2,4-5,10-11,19H2,1H3,(H,30,34)(H,31,33)
InChIKeyAZXMNACYEKMCEO-UHFFFAOYSA-N
XLogP5.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.08
LogP ≤ 55.25
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
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139167
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
ethyl 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]benzoate
CID 1372928
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide (CID 126030244) is 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is AZXMNACYEKMCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O5S/c1-37-26-17-16-20(29)18-25(26)32(38(35,36)22-12-6-3-7-13-22)19-27(33)31-24-15-9-8-14-23(24)28(34)30-21-10-4-2-5-11-21/h3,6-9,12-18,21H,2,4-5,10-11,19H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 556.08 g/mol, XLogP of 5.25, 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)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 126030244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).