N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C16H17NOS — CID 2267038

IUPACN-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyNKNAAKQLIBRIIG-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(4-methylphenyl)sulfanylethyl]benzamide

N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 2267038) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID2267038
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyNKNAAKQLIBRIIG-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 N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 2267038) is N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]benzamide is Cc1ccc(SCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is NKNAAKQLIBRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
N-[2-(4-methylphenyl)sulfanylethyl]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 N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 2267038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).