2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C15H19ClN2O2S — CID 46598347

IUPAC2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19ClN2O2S/c1-21-11-4-5-13(16)12(10-11)15(20)17-7-6-14(19)18-8-2-3-9-18/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyKCQSDIGKIWUISV-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 46598347) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID46598347
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19ClN2O2S/c1-21-11-4-5-13(16)12(10-11)15(20)17-7-6-14(19)18-8-2-3-9-18/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyKCQSDIGKIWUISV-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
3,4-dichloro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 56782028
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803113
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
2-chloro-5-methylsulfanyl-N-[(E)-pent-3-enyl]benzamide
CID 113236475
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 46598347) is 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is CSc1ccc(Cl)c(C(=O)NCCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KCQSDIGKIWUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-21-11-4-5-13(16)12(10-11)15(20)17-7-6-14(19)18-8-2-3-9-18/h4-5,10H,2-3,6-9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 326.85 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 46598347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).