2-methyl-N-(2-phenylsulfanylethyl)benzamide

C16H17NOS — CID 2282271

IUPAC2-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H17NOS/c1-13-7-5-6-10-15(13)16(18)17-11-12-19-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyMEFWZKXYBCMXPK-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-N-(2-phenylsulfanylethyl)benzamide

2-methyl-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2282271) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2282271
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H17NOS/c1-13-7-5-6-10-15(13)16(18)17-11-12-19-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyMEFWZKXYBCMXPK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-methyl-N-(2-phenylsulfanylethyl)benzamide (CID 2282271) is 2-methyl-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-phenylsulfanylethyl)benzamide is Cc1ccccc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is MEFWZKXYBCMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-5-6-10-15(13)16(18)17-11-12-19-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-(2-phenylsulfanylethyl)benzamide?
2-methyl-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 271.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).