4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide

C15H15ClN2O2S — CID 41272520

IUPAC4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide
SMILESN#CC1=C(NC(=O)CCCSc2ccc(Cl)cc2)OCC1
InChIInChI=1S/C15H15ClN2O2S/c16-12-3-5-13(6-4-12)21-9-1-2-14(19)18-15-11(10-17)7-8-20-15/h3-6H,1-2,7-9H2,(H,18,19)
InChIKeyGWYSBFPHOGBDMH-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.48
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide (PubChem CID 41272520) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide
PubChem CID41272520
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide
SMILESN#CC1=C(NC(=O)CCCSc2ccc(Cl)cc2)OCC1
InChIInChI=1S/C15H15ClN2O2S/c16-12-3-5-13(6-4-12)21-9-1-2-14(19)18-15-11(10-17)7-8-20-15/h3-6H,1-2,7-9H2,(H,18,19)
InChIKeyGWYSBFPHOGBDMH-UHFFFAOYSA-N
XLogP3.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-2,3-dihydrofuran-5-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086365
4-(4-chlorophenyl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100571985
4-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846245
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
4-(4-chlorophenyl)sulfanylbutanoate
CID 2307143
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
N-(2-bromoprop-2-enyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 113227505
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide (CID 41272520) is 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide is N#CC1=C(NC(=O)CCCSc2ccc(Cl)cc2)OCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide?
The InChIKey is GWYSBFPHOGBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-12-3-5-13(6-4-12)21-9-1-2-14(19)18-15-11(10-17)7-8-20-15/h3-6H,1-2,7-9H2,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide has a molecular weight of 322.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(4-cyano-2,3-dihydrofuran-5-yl)butanamide is sourced from PubChem (CID 41272520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).