2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide

C15H21ClN2OS — CID 106627453

IUPAC2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C15H21ClN2OS/c1-18(10-11-5-3-4-8-17-11)15(19)13-9-12(20-2)6-7-14(13)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyGNTIWVNOYAQNJJ-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide

2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 106627453) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID106627453
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C15H21ClN2OS/c1-18(10-11-5-3-4-8-17-11)15(19)13-9-12(20-2)6-7-14(13)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyGNTIWVNOYAQNJJ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
2-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
CID 117393114
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide (CID 106627453) is 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide is CSc1ccc(Cl)c(C(=O)N(C)CC2CCCCN2)c1.
What is the InChIKey of 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is GNTIWVNOYAQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-18(10-11-5-3-4-8-17-11)15(19)13-9-12(20-2)6-7-14(13)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 312.87 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106627453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).