2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide

C16H17NOS — CID 585002

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide
SMILESCc1ccc(CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-14(10-8-13)11-19-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyPVMMVJSOUHDUFL-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.87
Rot. Bonds5

About 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide

2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 585002) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID585002
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide
SMILESCc1ccc(CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-14(10-8-13)11-19-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyPVMMVJSOUHDUFL-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide (CID 585002) is 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide is Cc1ccc(CSCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is PVMMVJSOUHDUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-9-14(10-8-13)11-19-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 271.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 585002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).