N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C18H20N2O2S — CID 2105417

IUPACN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-9-16(14(2)10-13)23-12-17(21)20-18(22)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyHZROERCLVWBETG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.42
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2105417) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID2105417
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-9-16(14(2)10-13)23-12-17(21)20-18(22)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyHZROERCLVWBETG-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-benzyl-2-tosylacetamide
CID 6460081
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2572033
N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616192
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 1244968
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
N-(1-Phenyl-ethyl)-2-p-tolylsulfanyl-acetamide
CID 2890360
N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N'-ethylurea
CID 21153533

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 2105417) is N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is HZROERCLVWBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-8-9-16(14(2)10-13)23-12-17(21)20-18(22)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2105417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).