3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

C13H19ClN2O2S — CID 106611605

IUPAC3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)c1sccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-18-7-6-16(9-10-3-2-5-15-10)13(17)12-11(14)4-8-19-12/h4,8,10,15H,2-3,5-7,9H2,1H3
InChIKeyOKSRATCDKGZLSL-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.24
Rot. Bonds6

About 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 106611605) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID106611605
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)c1sccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-18-7-6-16(9-10-3-2-5-15-10)13(17)12-11(14)4-8-19-12/h4,8,10,15H,2-3,5-7,9H2,1H3
InChIKeyOKSRATCDKGZLSL-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521
N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106611726
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
N-(2-methoxyethyl)-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106611549
N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106611455
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
2-fluoro-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611823
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (CID 106611605) is 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is COCCN(CC1CCCN1)C(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OKSRATCDKGZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-18-7-6-16(9-10-3-2-5-15-10)13(17)12-11(14)4-8-19-12/h4,8,10,15H,2-3,5-7,9H2,1H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 302.83 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106611605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).