2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide

C13H18N2O2S — CID 79518105

IUPAC2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
SMILESCOc1ccc(N)c(SC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2S/c1-8(13(16)15-9-3-4-9)18-12-7-10(17-2)5-6-11(12)14/h5-9H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyGQTSDYNTZYUVPS-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide

2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 79518105) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
PubChem CID79518105
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
SMILESCOc1ccc(N)c(SC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2O2S/c1-8(13(16)15-9-3-4-9)18-12-7-10(17-2)5-6-11(12)14/h5-9H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyGQTSDYNTZYUVPS-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide 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

(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
2-(2-amino-5-methoxyphenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 79515202
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4876781
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
CID 78765452
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide (CID 79518105) is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide is COc1ccc(N)c(SC(C)C(=O)NC2CC2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is GQTSDYNTZYUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8(13(16)15-9-3-4-9)18-12-7-10(17-2)5-6-11(12)14/h5-9H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide?
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 79518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).