N-(4-aminophenyl)-2-phenylsulfanylpropanamide

C15H16N2OS — CID 43187412

IUPACN-(4-aminophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2OS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,16H2,1H3,(H,17,18)
InChIKeyAUVXGMXURKQNFU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.39
Rot. Bonds4

About N-(4-aminophenyl)-2-phenylsulfanylpropanamide

N-(4-aminophenyl)-2-phenylsulfanylpropanamide (PubChem CID 43187412) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-phenylsulfanylpropanamide
PubChem CID43187412
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(4-aminophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2OS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,16H2,1H3,(H,17,18)
InChIKeyAUVXGMXURKQNFU-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.39
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-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-phenylsulfanylpropanamide (CID 43187412) is N-(4-aminophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is AUVXGMXURKQNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-2-phenylsulfanylpropanamide?
N-(4-aminophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.39, 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-phenylsulfanylpropanamide is sourced from PubChem (CID 43187412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).