N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide

C14H21ClN2OS — CID 106974390

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(Cl)s2)CCCN1
InChIInChI=1S/C14H21ClN2OS/c1-3-7-14(8-4-9-16-14)13(18)17-10(2)11-5-6-12(15)19-11/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyAQZUYFWYYCGZMS-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974390) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974390
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(Cl)s2)CCCN1
InChIInChI=1S/C14H21ClN2OS/c1-3-7-14(8-4-9-16-14)13(18)17-10(2)11-5-6-12(15)19-11/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyAQZUYFWYYCGZMS-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975724
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974513
N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
CID 106974342
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 39271937
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide (CID 106974390) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(C)c2ccc(Cl)s2)CCCN1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is AQZUYFWYYCGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-3-7-14(8-4-9-16-14)13(18)17-10(2)11-5-6-12(15)19-11/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 300.85 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).