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

C17H19NO2S — CID 2216639

IUPAC4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)21-12-11-18-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHUZDRDXSBKFDPV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds6

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

4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide (PubChem CID 2216639) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide
PubChem CID2216639
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)21-12-11-18-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHUZDRDXSBKFDPV-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide (CID 2216639) is 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide is COc1ccc(C(=O)NCCSc2ccccc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is HUZDRDXSBKFDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)21-12-11-18-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide?
4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 2216639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).