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

C17H23NO3S — CID 112779715

IUPAC2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H23NO3S/c1-14(22(20,21)16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyHVIRJYMPDGRFOU-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.86
Rot. Bonds6

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

2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 112779715) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID112779715
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H23NO3S/c1-14(22(20,21)16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyHVIRJYMPDGRFOU-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 27564475
N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 163343249
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 71856999

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 112779715) is 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(C(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is HVIRJYMPDGRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-14(22(20,21)16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 321.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 112779715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).