N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide

C13H17ClN2OS — CID 119776589

IUPACN-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCCSc1ccc(Cl)cc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17ClN2OS/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyQJPJJPXNSJBJIV-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.00
Rot. Bonds4

About N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide

N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 119776589) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID119776589
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCCSc1ccc(Cl)cc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17ClN2OS/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyQJPJJPXNSJBJIV-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
CID 119319504
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 119776589) is N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide is CCSc1ccc(Cl)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QJPJJPXNSJBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide?
N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119776589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).