3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide

C16H18N2OS — CID 107272723

IUPAC3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11,17H2,1H3,(H,18,19)
InChIKeyJKNCFPIAMOBSRO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds5

About 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide

3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 107272723) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID107272723
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11,17H2,1H3,(H,18,19)
InChIKeyJKNCFPIAMOBSRO-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide (CID 107272723) is 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCc2ccccc2N)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is JKNCFPIAMOBSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11,17H2,1H3,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide?
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 286.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 107272723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).