2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H22N2O3S — CID 112991103

IUPAC2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-12-11-14-7-3-1-4-8-14)13-18-22(20,21)15-9-5-2-6-10-15/h2,5-7,9-10,18H,1,3-4,8,11-13H2,(H,17,19)
InChIKeyCYECTJDTCOKQGC-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.97
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 112991103) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID112991103
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-12-11-14-7-3-1-4-8-14)13-18-22(20,21)15-9-5-2-6-10-15/h2,5-7,9-10,18H,1,3-4,8,11-13H2,(H,17,19)
InChIKeyCYECTJDTCOKQGC-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 126139073
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 112991103) is 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CNS(=O)(=O)c1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CYECTJDTCOKQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-12-11-14-7-3-1-4-8-14)13-18-22(20,21)15-9-5-2-6-10-15/h2,5-7,9-10,18H,1,3-4,8,11-13H2,(H,17,19).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 112991103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).