2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide

C19H30N2O3S — CID 21380289

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-3-10-16(2)20-19(22)15-21(17-11-6-4-7-12-17)25(23,24)18-13-8-5-9-14-18/h5,8-9,13-14,16-17H,3-4,6-7,10-12,15H2,1-2H3,(H,20,22)
InChIKeyDSZYWSBENPXKSG-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.31
Rot. Bonds8

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide (PubChem CID 21380289) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide
PubChem CID21380289
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-3-10-16(2)20-19(22)15-21(17-11-6-4-7-12-17)25(23,24)18-13-8-5-9-14-18/h5,8-9,13-14,16-17H,3-4,6-7,10-12,15H2,1-2H3,(H,20,22)
InChIKeyDSZYWSBENPXKSG-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380372
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[benzenesulfonyl(cyclohexyl)amino]-N-(2,2-dimethylpropyl)acetamide
CID 100799819
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30400980
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544345
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide (CID 21380289) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide?
The InChIKey is DSZYWSBENPXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-10-16(2)20-19(22)15-21(17-11-6-4-7-12-17)25(23,24)18-13-8-5-9-14-18/h5,8-9,13-14,16-17H,3-4,6-7,10-12,15H2,1-2H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide has a molecular weight of 366.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 21380289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).