2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide

C18H28N2O3S — CID 45372670

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
SMILESCCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-2-20(24(22,23)17-13-9-6-10-14-17)15-18(21)19-16-11-7-4-3-5-8-12-16/h6,9-10,13-14,16H,2-5,7-8,11-12,15H2,1H3,(H,19,21)
InChIKeyVCJBMCAZQFCXEU-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.93
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide

2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide (PubChem CID 45372670) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
PubChem CID45372670
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
SMILESCCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-2-20(24(22,23)17-13-9-6-10-14-17)15-18(21)19-16-11-7-4-3-5-8-12-16/h6,9-10,13-14,16H,2-5,7-8,11-12,15H2,1H3,(H,19,21)
InChIKeyVCJBMCAZQFCXEU-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
CID 92645599
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
CID 2192147

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide (CID 45372670) is 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide is CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide?
The InChIKey is VCJBMCAZQFCXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-20(24(22,23)17-13-9-6-10-14-17)15-18(21)19-16-11-7-4-3-5-8-12-16/h6,9-10,13-14,16H,2-5,7-8,11-12,15H2,1H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide?
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide has a molecular weight of 352.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide is sourced from PubChem (CID 45372670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).