2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide

C14H19ClN2OS — CID 106995122

IUPAC2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C14H19ClN2OS/c1-9-7-10(5-6-16-9)17-14(18)12-8-11(19-2)3-4-13(12)15/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyHPGJRPMVIMQPPL-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide

2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide (PubChem CID 106995122) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
PubChem CID106995122
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C14H19ClN2OS/c1-9-7-10(5-6-16-9)17-14(18)12-8-11(19-2)3-4-13(12)15/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyHPGJRPMVIMQPPL-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide
CID 79114648
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide (CID 106995122) is 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC2CCNC(C)C2)c1.
What is the InChIKey of 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide?
The InChIKey is HPGJRPMVIMQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-9-7-10(5-6-16-9)17-14(18)12-8-11(19-2)3-4-13(12)15/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide?
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide has a molecular weight of 298.84 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 106995122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).