2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide

C14H19ClN2OS — CID 114793714

IUPAC2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C14H19ClN2OS/c1-19-11-4-5-13(15)12(9-11)14(18)17-8-6-10-3-2-7-16-10/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeySTBIECFREWJSQU-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.93
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide

2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793714) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793714
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C14H19ClN2OS/c1-19-11-4-5-13(15)12(9-11)14(18)17-8-6-10-3-2-7-16-10/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeySTBIECFREWJSQU-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793714) is 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide is CSc1ccc(Cl)c(C(=O)NCCC2CCCN2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is STBIECFREWJSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-19-11-4-5-13(15)12(9-11)14(18)17-8-6-10-3-2-7-16-10/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 298.84 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).