2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide

C15H16N2O2S — CID 107768918

IUPAC2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-10(18)16-14(9-20)15(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,20H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyAJHUVMGEVFHHGW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.21
Rot. Bonds4

About 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide

2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide (PubChem CID 107768918) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
PubChem CID107768918
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-10(18)16-14(9-20)15(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,20H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyAJHUVMGEVFHHGW-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide 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

(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
CID 59293509
2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
CID 107769542
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide (CID 107768918) is 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide?
The InChIKey is AJHUVMGEVFHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(18)16-14(9-20)15(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,20H,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide?
2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide has a molecular weight of 288.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide is sourced from PubChem (CID 107768918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).