N-(3-methylsulfanylphenyl)-3-phenylpropanamide

C16H17NOS — CID 7311893

IUPACN-(3-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyOIAFCOWFSITEOM-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.98
Rot. Bonds5

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

N-(3-methylsulfanylphenyl)-3-phenylpropanamide (PubChem CID 7311893) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-3-phenylpropanamide
PubChem CID7311893
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(3-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyOIAFCOWFSITEOM-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-(3-methylsulfanylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-3-phenylpropanamide (CID 7311893) is N-(3-methylsulfanylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-3-phenylpropanamide is CSc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-3-phenylpropanamide?
The InChIKey is OIAFCOWFSITEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of N-(3-methylsulfanylphenyl)-3-phenylpropanamide?
N-(3-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-(3-methylsulfanylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 7311893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).