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

C18H26N2O3S — CID 2229748

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-2-20(24(22,23)17-11-7-4-8-12-17)15-18(21)19-14-13-16-9-5-3-6-10-16/h4,7-9,11-12H,2-3,5-6,10,13-15H2,1H3,(H,19,21)
InChIKeyDYFYRWLURWRBED-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.70
Rot. Bonds8

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

2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2229748) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2229748
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-2-20(24(22,23)17-11-7-4-8-12-17)15-18(21)19-14-13-16-9-5-3-6-10-16/h4,7-9,11-12H,2-3,5-6,10,13-15H2,1H3,(H,19,21)
InChIKeyDYFYRWLURWRBED-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2229748) is 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is DYFYRWLURWRBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-20(24(22,23)17-11-7-4-8-12-17)15-18(21)19-14-13-16-9-5-3-6-10-16/h4,7-9,11-12H,2-3,5-6,10,13-15H2,1H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 350.48 g/mol, XLogP of 2.70, 8 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-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2229748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).