5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide

C21H30N4OS — CID 45245622

IUPAC5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
SMILESCC(C)(C)CCN1CCCC1c1ccc(C(=O)NCCc2cnccn2)s1
InChIInChI=1S/C21H30N4OS/c1-21(2,3)9-14-25-13-4-5-17(25)18-6-7-19(27-18)20(26)24-10-8-16-15-22-11-12-23-16/h6-7,11-12,15,17H,4-5,8-10,13-14H2,1-3H3,(H,24,26)
InChIKeyMRENFUUHNFINJO-UHFFFAOYSA-N
MW386.57 g/mol
LogP4.08
Rot. Bonds7

About 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide

5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 45245622) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
PubChem CID45245622
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
SMILESCC(C)(C)CCN1CCCC1c1ccc(C(=O)NCCc2cnccn2)s1
InChIInChI=1S/C21H30N4OS/c1-21(2,3)9-14-25-13-4-5-17(25)18-6-7-19(27-18)20(26)24-10-8-16-15-22-11-12-23-16/h6-7,11-12,15,17H,4-5,8-10,13-14H2,1-3H3,(H,24,26)
InChIKeyMRENFUUHNFINJO-UHFFFAOYSA-N
XLogP4.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086
5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 45190874
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
4-(cyclobutylsulfamoyl)-N-(2-pyrazin-2-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide (CID 45245622) is 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide is CC(C)(C)CCN1CCCC1c1ccc(C(=O)NCCc2cnccn2)s1.
What is the InChIKey of 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is MRENFUUHNFINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-21(2,3)9-14-25-13-4-5-17(25)18-6-7-19(27-18)20(26)24-10-8-16-15-22-11-12-23-16/h6-7,11-12,15,17H,4-5,8-10,13-14H2,1-3H3,(H,24,26).
What are the key properties of 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 386.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45245622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).