2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide

C21H25ClN2O4S — CID 1331504

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-13-12-16(22)14-19(20)23-21(25)15-24(17-8-4-2-5-9-17)29(26,27)18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,23,25)
InChIKeyFKUCWZPMUGYPNC-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.31
Rot. Bonds7

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 1331504) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID1331504
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-13-12-16(22)14-19(20)23-21(25)15-24(17-8-4-2-5-9-17)29(26,27)18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,23,25)
InChIKeyFKUCWZPMUGYPNC-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 21380435
methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
CID 45372813
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 1331504) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is FKUCWZPMUGYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-20-13-12-16(22)14-19(20)23-21(25)15-24(17-8-4-2-5-9-17)29(26,27)18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 436.96 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 1331504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).