2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide

C15H15ClN2OS — CID 43117508

IUPAC2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(Cl)cc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyWVEUYUQLQLAJFX-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide

2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide (PubChem CID 43117508) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide
PubChem CID43117508
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(Cl)cc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyWVEUYUQLQLAJFX-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.04
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

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide
CID 106678736
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide (CID 43117508) is 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide is CC(Sc1ccc(Cl)cc1N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide?
The InChIKey is WVEUYUQLQLAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide?
2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide has a molecular weight of 306.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 43117508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).