N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C18H20N2O2S — CID 2616192

IUPACN-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-9-14(2)16(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)
InChIKeyBPVGZAMZMJMMNH-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.42
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2616192) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2616192
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-9-14(2)16(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)
InChIKeyBPVGZAMZMJMMNH-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-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
2-oxo-N-[(1R)-1-phenylethyl]-4-phenylsulfanyl-azetidine-1-carboxamide
CID 482282
3,3'-thiobis[N-(4-methylbenzyl)propanamide]
CID 1769391
N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2082334
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2105417
N-(benzylcarbamoyl)-2-phenylsulfanylacetamide
CID 2551637
2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide
CID 2992435
N-benzyl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide
CID 9883246
N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 118526615
N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 118526721

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 2616192) is N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)NC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is BPVGZAMZMJMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-8-9-14(2)16(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-(2,5-dimethylphenyl)sulfanylacetamide?
N-(benzylcarbamoyl)-2-(2,5-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-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2616192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).