5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide

C19H19N3O2S — CID 99939338

IUPAC5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)cs1
InChIInChI=1S/C19H19N3O2S/c1-14(23)18-11-16(12-25-18)19(24)21-17(15-5-3-2-4-6-15)7-9-22-10-8-20-13-22/h2-6,8,10-13,17H,7,9H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyGNPOSICFHOQTGF-QGZVFWFLSA-N
MW353.45 g/mol
LogP3.71
Rot. Bonds7

About 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide

5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide (PubChem CID 99939338) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
PubChem CID99939338
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)cs1
InChIInChI=1S/C19H19N3O2S/c1-14(23)18-11-16(12-25-18)19(24)21-17(15-5-3-2-4-6-15)7-9-22-10-8-20-13-22/h2-6,8,10-13,17H,7,9H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyGNPOSICFHOQTGF-QGZVFWFLSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
CID 51498385
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
CID 26390849
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
5-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]thiophene-3-carboxamide
CID 16677420

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide (CID 99939338) is 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)cs1.
What is the InChIKey of 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide?
The InChIKey is GNPOSICFHOQTGF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14(23)18-11-16(12-25-18)19(24)21-17(15-5-3-2-4-6-15)7-9-22-10-8-20-13-22/h2-6,8,10-13,17H,7,9H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide?
5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 99939338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).