2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C23H29N3O5S — CID 16545241

IUPAC2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccco2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18(27)25-20-9-11-22(12-10-20)32(29,30)26(16-21-8-5-15-31-21)17-23(28)24-14-13-19-6-3-2-4-7-19/h5-6,8-12,15H,2-4,7,13-14,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyKLNKKLINFOAPLY-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.44
Rot. Bonds10

About 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 16545241) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID16545241
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccco2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18(27)25-20-9-11-22(12-10-20)32(29,30)26(16-21-8-5-15-31-21)17-23(28)24-14-13-19-6-3-2-4-7-19/h5-6,8-12,15H,2-4,7,13-14,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyKLNKKLINFOAPLY-UHFFFAOYSA-N
XLogP3.44
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 110407414
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16545227
N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034524
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2175307

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 16545241) is 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccco2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is KLNKKLINFOAPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-18(27)25-20-9-11-22(12-10-20)32(29,30)26(16-21-8-5-15-31-21)17-23(28)24-14-13-19-6-3-2-4-7-19/h5-6,8-12,15H,2-4,7,13-14,16-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 16545241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).