3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

C16H20N2OS2 — CID 46522611

IUPAC3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2OS2/c1-12-6-10-21-15(12)16(19)17-11-13(14-5-4-9-20-14)18-7-2-3-8-18/h4-6,9-10,13H,2-3,7-8,11H2,1H3,(H,17,19)
InChIKeyOSNHYGGCRUQSDK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.68
Rot. Bonds5

About 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 46522611) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID46522611
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2OS2/c1-12-6-10-21-15(12)16(19)17-11-13(14-5-4-9-20-14)18-7-2-3-8-18/h4-6,9-10,13H,2-3,7-8,11H2,1H3,(H,17,19)
InChIKeyOSNHYGGCRUQSDK-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522629
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
CID 43057560
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 24640429
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 46522611) is 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is OSNHYGGCRUQSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-12-6-10-21-15(12)16(19)17-11-13(14-5-4-9-20-14)18-7-2-3-8-18/h4-6,9-10,13H,2-3,7-8,11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46522611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).