N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide

C13H16N4O2S — CID 107779657

IUPACN-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)CCSc2ncc[nH]2)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-19-9-2-3-11(10(14)8-9)17-12(18)4-7-20-13-15-5-6-16-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKDQFZCLYDUDCK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.12
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide

N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide (PubChem CID 107779657) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide
PubChem CID107779657
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)CCSc2ncc[nH]2)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-19-9-2-3-11(10(14)8-9)17-12(18)4-7-20-13-15-5-6-16-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKDQFZCLYDUDCK-UHFFFAOYSA-N
XLogP2.12
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide 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-(2-aminophenyl)-4-(1H-imidazol-2-ylsulfanyl)butanamide
CID 107779663
N-(5-amino-2-methylphenyl)-4-(1H-imidazol-2-ylsulfanyl)butanamide
CID 107779795
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23746050
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide (CID 107779657) is N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide is COc1ccc(NC(=O)CCSc2ncc[nH]2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide?
The InChIKey is JKDQFZCLYDUDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-19-9-2-3-11(10(14)8-9)17-12(18)4-7-20-13-15-5-6-16-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 107779657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).