2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide

C12H18N2O2S2 — CID 107769625

IUPAC2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H18N2O2S2/c1-7-4-10(18-8(7)2)5-13-12(16)11(6-17)14-9(3)15/h4,11,17H,5-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRVPULONEGZEZDJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds5

About 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide

2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide (PubChem CID 107769625) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide
PubChem CID107769625
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H18N2O2S2/c1-7-4-10(18-8(7)2)5-13-12(16)11(6-17)14-9(3)15/h4,11,17H,5-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRVPULONEGZEZDJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-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

2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
4-amino-5-[(4,5-dimethylthiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 65241327
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107769128
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166190895
2-acetamido-N-[(4-methylsulfonylphenyl)methyl]-3-sulfanylpropanamide
CID 107769398
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244076
2-acetamido-N-[(4-nitrophenyl)methyl]-3-sulfanylpropanamide
CID 107769158
2-acetamido-N-[2-(3-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107769442
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66166580

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide (CID 107769625) is 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The InChIKey is RVPULONEGZEZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-7-4-10(18-8(7)2)5-13-12(16)11(6-17)14-9(3)15/h4,11,17H,5-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107769625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).