N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide

C17H17ClN2O2S — CID 894235

IUPACN-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12(21)19-14-6-8-15(9-7-14)20-17(22)11-23-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYTURUNOXPQYWIH-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.17
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 894235) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
PubChem CID894235
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12(21)19-14-6-8-15(9-7-14)20-17(22)11-23-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYTURUNOXPQYWIH-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cgp 37157
CID 2688
2-(benzylthio)-N-phenylacetamide
CID 584914
N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
S-{2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl} thiocarbamate
CID 812203
2-[(4-methylbenzyl)sulfanyl]-N-phenylacetamide
CID 585002
S-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl} thiocarbamate
CID 671764
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]acrylamide
CID 723732
(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 798804
N-[4-(acetylamino)phenyl]-2-[(4-methylphenyl)thio]acetamide
CID 893690

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide (CID 894235) is N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is YTURUNOXPQYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12(21)19-14-6-8-15(9-7-14)20-17(22)11-23-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 348.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 894235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).