5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide

C15H21N3OS — CID 122571901

IUPAC5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(CC)s1)c1nccn1C
InChIInChI=1S/C15H21N3OS/c1-4-6-12(14-16-9-10-18(14)3)17-15(19)13-8-7-11(5-2)20-13/h7-10,12H,4-6H2,1-3H3,(H,17,19)
InChIKeyKHJCVSVSNMHNBA-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds6

About 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide

5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide (PubChem CID 122571901) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
PubChem CID122571901
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(CC)s1)c1nccn1C
InChIInChI=1S/C15H21N3OS/c1-4-6-12(14-16-9-10-18(14)3)17-15(19)13-8-7-11(5-2)20-13/h7-10,12H,4-6H2,1-3H3,(H,17,19)
InChIKeyKHJCVSVSNMHNBA-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide (CID 122571901) is 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide is CCCC(NC(=O)c1ccc(CC)s1)c1nccn1C.
What is the InChIKey of 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The InChIKey is KHJCVSVSNMHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-6-12(14-16-9-10-18(14)3)17-15(19)13-8-7-11(5-2)20-13/h7-10,12H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide is sourced from PubChem (CID 122571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).