N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide

C17H18N2O2S — CID 893690

IUPACN-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-3-9-16(10-4-12)22-11-17(21)19-15-7-5-14(6-8-15)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDZIGYBTTYPJQPD-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.68
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 893690) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID893690
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-3-9-16(10-4-12)22-11-17(21)19-15-7-5-14(6-8-15)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDZIGYBTTYPJQPD-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
2-(benzylthio)-N-phenylacetamide
CID 584914
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CID 872566
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-Phenyl-1,5-benzothiazepin-4-one
CID 79749
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 893690) is N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is DZIGYBTTYPJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-3-9-16(10-4-12)22-11-17(21)19-15-7-5-14(6-8-15)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 314.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 893690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).