2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C18H19ClN2O3S — CID 9011910

IUPAC2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-21(18(23)12-25-16-8-6-13(19)7-9-16)11-17(22)20-14-4-3-5-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyARBFPWGUPUGUMF-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.54
Rot. Bonds7

About 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9011910) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9011910
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-21(18(23)12-25-16-8-6-13(19)7-9-16)11-17(22)20-14-4-3-5-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyARBFPWGUPUGUMF-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8511461
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34773169
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-(4-chlorophenyl)-2-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9417356
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 9011910) is 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ARBFPWGUPUGUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-21(18(23)12-25-16-8-6-13(19)7-9-16)11-17(22)20-14-4-3-5-15(10-14)24-2/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 378.88 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9011910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).