5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide

C16H15N3OS — CID 91800672

IUPAC5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nccn2-c2ccccc2)cs1
InChIInChI=1S/C16H15N3OS/c1-2-14-10-12(11-21-14)15(20)18-16-17-8-9-19(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18,20)
InChIKeyIALWUYPYLDJQPH-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds4

About 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide

5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide (PubChem CID 91800672) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide
PubChem CID91800672
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nccn2-c2ccccc2)cs1
InChIInChI=1S/C16H15N3OS/c1-2-14-10-12(11-21-14)15(20)18-16-17-8-9-19(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18,20)
InChIKeyIALWUYPYLDJQPH-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide (CID 91800672) is 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide is CCc1cc(C(=O)Nc2nccn2-c2ccccc2)cs1.
What is the InChIKey of 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide?
The InChIKey is IALWUYPYLDJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-14-10-12(11-21-14)15(20)18-16-17-8-9-19(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18,20).
What are the key properties of 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide?
5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-phenylimidazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 91800672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).