2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

C17H25ClN2O4S — CID 92645599

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O4S/c1-3-20(12-17(21)19-13-7-5-4-6-8-13)25(22,23)14-9-10-16(24-2)15(18)11-14/h9-11,13H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyBKYRWEOULKUYBH-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.81
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (PubChem CID 92645599) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
PubChem CID92645599
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O4S/c1-3-20(12-17(21)19-13-7-5-4-6-8-13)25(22,23)14-9-10-16(24-2)15(18)11-14/h9-11,13H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyBKYRWEOULKUYBH-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967556
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797099
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
3-chloro-N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 92645686
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (CID 92645599) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The InChIKey is BKYRWEOULKUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-3-20(12-17(21)19-13-7-5-4-6-8-13)25(22,23)14-9-10-16(24-2)15(18)11-14/h9-11,13H,3-8,12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide has a molecular weight of 388.92 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 92645599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).