N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide

C16H18N2OS — CID 60892180

IUPACN-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
SMILESCc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H18N2OS/c1-11-5-3-4-6-15(11)20-12(2)16(19)18-14-9-7-13(17)8-10-14/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyBOJTYAVAMHMRAE-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide

N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide (PubChem CID 60892180) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
PubChem CID60892180
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
SMILESCc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H18N2OS/c1-11-5-3-4-6-15(11)20-12(2)16(19)18-14-9-7-13(17)8-10-14/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyBOJTYAVAMHMRAE-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
2-(2-methylphenyl)sulfanylpropanoic acid
CID 20985535
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide (CID 60892180) is N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide is Cc1ccccc1SC(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The InChIKey is BOJTYAVAMHMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-5-3-4-6-15(11)20-12(2)16(19)18-14-9-7-13(17)8-10-14/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide?
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 60892180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).