N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide

C17H17ClN2O3S — CID 26552817

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-11(21)19-13-5-8-16(23-2)15(9-13)20-17(22)10-24-14-6-3-12(18)4-7-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWATOCXIBQWEZTP-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.04
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 26552817) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID26552817
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-11(21)19-13-5-8-16(23-2)15(9-13)20-17(22)10-24-14-6-3-12(18)4-7-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWATOCXIBQWEZTP-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1299860
2-(4-chlorophenyl)-N-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 23096738
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 24676484
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 4789586
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92683960
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800367

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 26552817) is N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide is COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is WATOCXIBQWEZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11(21)19-13-5-8-16(23-2)15(9-13)20-17(22)10-24-14-6-3-12(18)4-7-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 364.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 26552817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).