2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C18H19ClN2O3S — CID 2540390

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-11-8-16(17(24-3)9-15(11)19)21-18(23)10-25-14-6-4-13(5-7-14)20-12(2)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXWXRNADTATTRF-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 2540390) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID2540390
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-11-8-16(17(24-3)9-15(11)19)21-18(23)10-25-14-6-4-13(5-7-14)20-12(2)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXWXRNADTATTRF-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 2540390) is 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is QXWXRNADTATTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11-8-16(17(24-3)9-15(11)19)21-18(23)10-25-14-6-4-13(5-7-14)20-12(2)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 378.88 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2540390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).