N-(benzylcarbamoyl)-2-phenylsulfanylacetamide

C16H16N2O2S — CID 2551637

IUPACN-(benzylcarbamoyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-15(12-21-14-9-5-2-6-10-14)18-16(20)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeyOXZDMDVRFLTMKL-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds5

About N-(benzylcarbamoyl)-2-phenylsulfanylacetamide

N-(benzylcarbamoyl)-2-phenylsulfanylacetamide (PubChem CID 2551637) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-phenylsulfanylacetamide
PubChem CID2551637
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(benzylcarbamoyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-15(12-21-14-9-5-2-6-10-14)18-16(20)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeyOXZDMDVRFLTMKL-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-[5-(3-Benzyl-ureido)-pentyl]-2-mercapto-acetamide
CID 44389623
N-benzyl-2-tosylacetamide
CID 6460081
N-Phenethyl-2-phenylsulfanyl-acetamide
CID 846686
2-(benzenesulfonyl)-N-benzylacetamide
CID 2991483

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-phenylsulfanylacetamide (CID 2551637) is N-(benzylcarbamoyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-phenylsulfanylacetamide?
The InChIKey is OXZDMDVRFLTMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(12-21-14-9-5-2-6-10-14)18-16(20)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20).
What are the key properties of N-(benzylcarbamoyl)-2-phenylsulfanylacetamide?
N-(benzylcarbamoyl)-2-phenylsulfanylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2551637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).