N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide

C16H18N2OS — CID 43187416

IUPACN-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyRCLATOMOGRXSNR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide

N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 43187416) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
PubChem CID43187416
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyRCLATOMOGRXSNR-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 43187425

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide (CID 43187416) is N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is RCLATOMOGRXSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide?
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide 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-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 43187416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).