2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

C16H18N2O2S — CID 19059132

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyTWUYAPKWCKTXLI-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (PubChem CID 19059132) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
PubChem CID19059132
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyTWUYAPKWCKTXLI-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)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

(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
methyl (2S)-2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 94033049
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
(2S,3S)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)-N-methylpropanamide
CID 57223133
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (CID 19059132) is 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Sc2ccccc2N)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is TWUYAPKWCKTXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 302.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 19059132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).