2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide

C20H24N2OS — CID 37172830

IUPAC2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H24N2OS/c1-15-10-11-16(24-2)14-17(15)20(23)21-18-8-4-5-9-19(18)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyMUXMHFJPWQTDGF-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.96
Rot. Bonds4

About 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide

2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 37172830) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID37172830
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H24N2OS/c1-15-10-11-16(24-2)14-17(15)20(23)21-18-8-4-5-9-19(18)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyMUXMHFJPWQTDGF-UHFFFAOYSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
CID 22831106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide (CID 37172830) is 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide is CSc1ccc(C)c(C(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is MUXMHFJPWQTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-10-11-16(24-2)14-17(15)20(23)21-18-8-4-5-9-19(18)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide?
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 340.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 37172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).