2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H18Cl2N2OS — CID 119535242

IUPAC2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCSc1cc(C(=O)NCCC2CCNC2)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-20-13-6-10(11(15)7-12(13)16)14(19)18-5-3-9-2-4-17-8-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyGEXSPROJJIOGBY-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.44
Rot. Bonds5

About 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide

2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119535242) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119535242
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC Name2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCSc1cc(C(=O)NCCC2CCNC2)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-20-13-6-10(11(15)7-12(13)16)14(19)18-5-3-9-2-4-17-8-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyGEXSPROJJIOGBY-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2,4-dichloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylsulfanylbenzamide;hydrochloride
CID 120948818
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511689
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119535242) is 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide is CSc1cc(C(=O)NCCC2CCNC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is GEXSPROJJIOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-20-13-6-10(11(15)7-12(13)16)14(19)18-5-3-9-2-4-17-8-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 333.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119535242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).