3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C19H26N2O4S — CID 110407414

IUPAC3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H26N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,23)(H,21,22)
InChIKeySYFXTTKRIDQKJC-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.82
Rot. Bonds8

About 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 110407414) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID110407414
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H26N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,23)(H,21,22)
InChIKeySYFXTTKRIDQKJC-UHFFFAOYSA-N
XLogP2.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 4119952
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7624090
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 16545241
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633485
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 110407414) is 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is SYFXTTKRIDQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 378.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 110407414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).