N-benzyl-N-ethyl-2-phenylsulfanylacetamide

C17H19NOS — CID 1122625

IUPACN-benzyl-N-ethyl-2-phenylsulfanylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeySXMWUMSYMPSOPN-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.83
Rot. Bonds6

About N-benzyl-N-ethyl-2-phenylsulfanylacetamide

N-benzyl-N-ethyl-2-phenylsulfanylacetamide (PubChem CID 1122625) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-phenylsulfanylacetamide
PubChem CID1122625
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-benzyl-N-ethyl-2-phenylsulfanylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeySXMWUMSYMPSOPN-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-ethyl-2-phenylsulfanylacetamide 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-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethylacetamide
CID 60732754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-phenylsulfanylacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-phenylsulfanylacetamide (CID 1122625) is N-benzyl-N-ethyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-phenylsulfanylacetamide is CCN(Cc1ccccc1)C(=O)CSc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-phenylsulfanylacetamide?
The InChIKey is SXMWUMSYMPSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-18(13-15-9-5-3-6-10-15)17(19)14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-phenylsulfanylacetamide?
N-benzyl-N-ethyl-2-phenylsulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 1122625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).