N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

C14H20N2O2S — CID 61214082

IUPACN-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-12-6-13(15-7-12)14(17)16(11-2-3-11)8-10-4-5-19-9-10/h4-5,9,11-13,15H,2-3,6-8H2,1H3
InChIKeyGVXWCQNDIGSIIY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.62
Rot. Bonds5

About N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61214082) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61214082
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-12-6-13(15-7-12)14(17)16(11-2-3-11)8-10-4-5-19-9-10/h4-5,9,11-13,15H,2-3,6-8H2,1H3
InChIKeyGVXWCQNDIGSIIY-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61214210
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 60937843
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (CID 61214082) is N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(Cc2ccsc2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is GVXWCQNDIGSIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-12-6-13(15-7-12)14(17)16(11-2-3-11)8-10-4-5-19-9-10/h4-5,9,11-13,15H,2-3,6-8H2,1H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).