2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide

C16H17ClN2OS — CID 156652616

IUPAC2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-21-15-8-7-12(10-13(15)17)19-16(20)14(18)9-11-5-3-2-4-6-11/h2-8,10,14H,9,18H2,1H3,(H,19,20)
InChIKeyCZPNUZYUGXWFBF-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.57
Rot. Bonds5

About 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide

2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide (PubChem CID 156652616) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
PubChem CID156652616
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-21-15-8-7-12(10-13(15)17)19-16(20)14(18)9-11-5-3-2-4-6-11/h2-8,10,14H,9,18H2,1H3,(H,19,20)
InChIKeyCZPNUZYUGXWFBF-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
2-amino-N-(4-benzylsulfanyl-3-hydroxyphenyl)-3-phenylpropanamide;hydrochloride
CID 174204840
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide (CID 156652616) is 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide is CSc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide?
The InChIKey is CZPNUZYUGXWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-21-15-8-7-12(10-13(15)17)19-16(20)14(18)9-11-5-3-2-4-6-11/h2-8,10,14H,9,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide?
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide has a molecular weight of 320.85 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 156652616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).