2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide

C18H20N2O2S — CID 42970232

IUPAC2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyOMKMEYYQPKXNFV-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.79
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide

2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide (PubChem CID 42970232) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
PubChem CID42970232
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyOMKMEYYQPKXNFV-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8819689
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 112781178
2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2085849
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 43012531
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide (CID 42970232) is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The InChIKey is OMKMEYYQPKXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h4-12H,3,13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 42970232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).