4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide

C13H18N2O2S — CID 112511009

IUPAC4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
SMILESCCOc1ccccc1NC(=O)C(C)CC(N)=S
InChIInChI=1S/C13H18N2O2S/c1-3-17-11-7-5-4-6-10(11)15-13(16)9(2)8-12(14)18/h4-7,9H,3,8H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyJHSALSVADBFBBW-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.34
Rot. Bonds6

About 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide

4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide (PubChem CID 112511009) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
PubChem CID112511009
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
SMILESCCOc1ccccc1NC(=O)C(C)CC(N)=S
InChIInChI=1S/C13H18N2O2S/c1-3-17-11-7-5-4-6-10(11)15-13(16)9(2)8-12(14)18/h4-7,9H,3,8H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyJHSALSVADBFBBW-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide 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

(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369579
2-(2-ethoxyanilino)butanamide
CID 62900399
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide?
The IUPAC name of 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide (CID 112511009) is 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide?
The canonical SMILES for 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide is CCOc1ccccc1NC(=O)C(C)CC(N)=S.
What is the InChIKey of 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide?
The InChIKey is JHSALSVADBFBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-17-11-7-5-4-6-10(11)15-13(16)9(2)8-12(14)18/h4-7,9H,3,8H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide?
4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide has a molecular weight of 266.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide is sourced from PubChem (CID 112511009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).