3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide

C11H14N2O2S — CID 62872080

IUPAC3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
SMILESCOc1ccc(NC(=O)CC(N)=S)c(C)c1
InChIInChI=1S/C11H14N2O2S/c1-7-5-8(15-2)3-4-9(7)13-11(14)6-10(12)16/h3-5H,6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyLJQFPYUVIPFPGQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide

3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide (PubChem CID 62872080) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
PubChem CID62872080
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
SMILESCOc1ccc(NC(=O)CC(N)=S)c(C)c1
InChIInChI=1S/C11H14N2O2S/c1-7-5-8(15-2)3-4-9(7)13-11(14)6-10(12)16/h3-5H,6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyLJQFPYUVIPFPGQ-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide
CID 62872444
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide (CID 62872080) is 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide is COc1ccc(NC(=O)CC(N)=S)c(C)c1.
What is the InChIKey of 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is LJQFPYUVIPFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-5-8(15-2)3-4-9(7)13-11(14)6-10(12)16/h3-5H,6H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide?
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).