N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide

C13H19N3O2S — CID 119324788

IUPACN-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CC(=O)NCc1cccs1)C(=O)C1CCCN1
InChIInChI=1S/C13H19N3O2S/c1-16(13(18)11-5-2-6-14-11)9-12(17)15-8-10-4-3-7-19-10/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyUHZQHVQJJFEKMC-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.57
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide

N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119324788) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID119324788
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CC(=O)NCc1cccs1)C(=O)C1CCCN1
InChIInChI=1S/C13H19N3O2S/c1-16(13(18)11-5-2-6-14-11)9-12(17)15-8-10-4-3-7-19-10/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyUHZQHVQJJFEKMC-UHFFFAOYSA-N
XLogP0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119342337

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide (CID 119324788) is N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide is CN(CC(=O)NCc1cccs1)C(=O)C1CCCN1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UHZQHVQJJFEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16(13(18)11-5-2-6-14-11)9-12(17)15-8-10-4-3-7-19-10/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119324788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).