4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide

C17H18ClNO2S — CID 7979690

IUPAC4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H18ClNO2S/c1-12-4-9-15(16(20)11-12)19-17(21)3-2-10-22-14-7-5-13(18)6-8-14/h4-9,11,20H,2-3,10H2,1H3,(H,19,21)
InChIKeyQURKFCZYRJLGDN-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.87
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide (PubChem CID 7979690) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
PubChem CID7979690
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H18ClNO2S/c1-12-4-9-15(16(20)11-12)19-17(21)3-2-10-22-14-7-5-13(18)6-8-14/h4-9,11,20H,2-3,10H2,1H3,(H,19,21)
InChIKeyQURKFCZYRJLGDN-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
N-(2-hydroxy-4-methylphenyl)hept-6-ynamide
CID 103907404
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
4-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100552715
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide (CID 7979690) is 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide?
The InChIKey is QURKFCZYRJLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12-4-9-15(16(20)11-12)19-17(21)3-2-10-22-14-7-5-13(18)6-8-14/h4-9,11,20H,2-3,10H2,1H3,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide has a molecular weight of 335.86 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 7979690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).