N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide

C14H18N4O2S — CID 61384763

IUPACN-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)CCSc1cnn(C)c1
InChIInChI=1S/C14H18N4O2S/c1-18-9-11(8-16-18)21-6-5-14(19)17-12-4-3-10(15)7-13(12)20-2/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyLFLYHSMGEAYLST-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.13
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide

N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide (PubChem CID 61384763) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
PubChem CID61384763
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)CCSc1cnn(C)c1
InChIInChI=1S/C14H18N4O2S/c1-18-9-11(8-16-18)21-6-5-14(19)17-12-4-3-10(15)7-13(12)20-2/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyLFLYHSMGEAYLST-UHFFFAOYSA-N
XLogP2.13
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)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

N-(4-amino-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384636
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-(4-amino-2,6-dichlorophenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384728
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide (CID 61384763) is N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide is COc1cc(N)ccc1NC(=O)CCSc1cnn(C)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The InChIKey is LFLYHSMGEAYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-9-11(8-16-18)21-6-5-14(19)17-12-4-3-10(15)7-13(12)20-2/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide is sourced from PubChem (CID 61384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).