2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide

C19H22N2O2S — CID 39076015

IUPAC2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-2-21(13-16-9-5-3-6-10-16)19(23)15-24-14-18(22)20-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,20,22)
InChIKeyPNUXHDAHRWRBJB-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.41
Rot. Bonds8

About 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 39076015) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID39076015
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-2-21(13-16-9-5-3-6-10-16)19(23)15-24-14-18(22)20-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,20,22)
InChIKeyPNUXHDAHRWRBJB-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 112759116
2-amino-4-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 39076015) is 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide is CCN(Cc1ccccc1)C(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is PNUXHDAHRWRBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-21(13-16-9-5-3-6-10-16)19(23)15-24-14-18(22)20-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,20,22).
What are the key properties of 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 342.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 39076015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).