2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide

C17H25N3O4S — CID 2640186

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)18-15-8-10-16(11-9-15)25(23,24)20(2)12-17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIILUIIGXAMRHPR-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.71
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide (PubChem CID 2640186) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
PubChem CID2640186
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)18-15-8-10-16(11-9-15)25(23,24)20(2)12-17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIILUIIGXAMRHPR-UHFFFAOYSA-N
XLogP1.71
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119458682
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 18204253

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide (CID 2640186) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The InChIKey is IILUIIGXAMRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13(21)18-15-8-10-16(11-9-15)25(23,24)20(2)12-17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide has a molecular weight of 367.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 2640186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).