N-(2-methylsulfanylphenyl)-3-phenylpropanamide

C16H17NOS — CID 971362

IUPACN-(2-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-19-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyXSDSDAVSFHFVHX-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.98
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-3-phenylpropanamide

N-(2-methylsulfanylphenyl)-3-phenylpropanamide (PubChem CID 971362) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-3-phenylpropanamide
PubChem CID971362
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(2-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-19-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyXSDSDAVSFHFVHX-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-3-phenylpropanamide (CID 971362) is N-(2-methylsulfanylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-3-phenylpropanamide is CSc1ccccc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The InChIKey is XSDSDAVSFHFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-19-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
N-(2-methylsulfanylphenyl)-3-phenylpropanamide has a molecular weight of 271.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).