3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide

C17H15N3OS — CID 51095447

IUPAC3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1sccc1C1CC1
InChIInChI=1S/C17H15N3OS/c21-17(16-15(6-9-22-16)12-4-5-12)19-13-2-1-3-14(10-13)20-8-7-18-11-20/h1-3,6-12H,4-5H2,(H,19,21)
InChIKeyXQJXWKCACSHQBK-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.06
Rot. Bonds4

About 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide

3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 51095447) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
PubChem CID51095447
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1sccc1C1CC1
InChIInChI=1S/C17H15N3OS/c21-17(16-15(6-9-22-16)12-4-5-12)19-13-2-1-3-14(10-13)20-8-7-18-11-20/h1-3,6-12H,4-5H2,(H,19,21)
InChIKeyXQJXWKCACSHQBK-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
CID 155963940
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 64825093
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
CID 124568585
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide (CID 51095447) is 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(-n2ccnc2)c1)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is XQJXWKCACSHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(16-15(6-9-22-16)12-4-5-12)19-13-2-1-3-14(10-13)20-8-7-18-11-20/h1-3,6-12H,4-5H2,(H,19,21).
What are the key properties of 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide?
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 51095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).