3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide

C15H19Cl2NOS — CID 23917473

IUPAC3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCSC1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NOS/c16-12-7-4-8-13(15(12)17)18-14(19)9-10-20-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyFGRFYLFOFHFVLR-UHFFFAOYSA-N
MW332.30 g/mol
LogP5.39
Rot. Bonds5

About 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide

3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide (PubChem CID 23917473) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
PubChem CID23917473
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC Name3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCSC1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NOS/c16-12-7-4-8-13(15(12)17)18-14(19)9-10-20-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyFGRFYLFOFHFVLR-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.30
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
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N,N'-bis(2,3-dichlorophenyl)dodecanediamide
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N-cyclohexyl-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetamide
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N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(2,3-dichlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
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N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2,3-dichlorophenyl)-3-piperidin-1-ylsulfonylpropanamide
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N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,3-dichlorophenyl)acetamide
CID 40975642

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide (CID 23917473) is 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide is O=C(CCSC1CCCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is FGRFYLFOFHFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c16-12-7-4-8-13(15(12)17)18-14(19)9-10-20-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide?
3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 332.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 23917473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).