5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

C16H26N2OS — CID 106610975

IUPAC5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC(C)C)CC2CCCN2)s1
InChIInChI=1S/C16H26N2OS/c1-4-14-7-8-15(20-14)16(19)18(10-12(2)3)11-13-6-5-9-17-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyHNKDCCCIWBOXNT-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.16
Rot. Bonds6

About 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 106610975) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID106610975
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC(C)C)CC2CCCN2)s1
InChIInChI=1S/C16H26N2OS/c1-4-14-7-8-15(20-14)16(19)18(10-12(2)3)11-13-6-5-9-17-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyHNKDCCCIWBOXNT-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611298
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106611351
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (CID 106610975) is 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is CCc1ccc(C(=O)N(CC(C)C)CC2CCCN2)s1.
What is the InChIKey of 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HNKDCCCIWBOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-14-7-8-15(20-14)16(19)18(10-12(2)3)11-13-6-5-9-17-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3.
What are the key properties of 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106610975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).