2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide

C17H18N2O3S — CID 126181557

IUPAC2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2NC(C)=O)c1
InChIInChI=1S/C17H18N2O3S/c1-12(20)18-15-8-3-4-9-16(15)23-11-17(21)19-13-6-5-7-14(10-13)22-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYVOCAAPKFCFPJI-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide

2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 126181557) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID126181557
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2NC(C)=O)c1
InChIInChI=1S/C17H18N2O3S/c1-12(20)18-15-8-3-4-9-16(15)23-11-17(21)19-13-6-5-7-14(10-13)22-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYVOCAAPKFCFPJI-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
(1-amino-1-oxopropan-2-yl) 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42898886
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(2-chloro-4-fluorophenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 29175162
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42977856
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42104493
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24706009
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 55392351

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 126181557) is 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2ccccc2NC(C)=O)c1.
What is the InChIKey of 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is YVOCAAPKFCFPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(20)18-15-8-3-4-9-16(15)23-11-17(21)19-13-6-5-7-14(10-13)22-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 126181557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).