5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide

C23H18ClN3O2S — CID 164627001

IUPAC5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H18ClN3O2S/c24-18-8-6-16(7-9-18)20-10-11-21(30-20)23(29)26-19(14-27-13-12-25-15-27)22(28)17-4-2-1-3-5-17/h1-13,15,19H,14H2,(H,26,29)
InChIKeyUMAPXAVHVAWMSB-UHFFFAOYSA-N
MW435.94 g/mol
LogP4.95
Rot. Bonds7

About 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide

5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 164627001) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
PubChem CID164627001
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H18ClN3O2S/c24-18-8-6-16(7-9-18)20-10-11-21(30-20)23(29)26-19(14-27-13-12-25-15-27)22(28)17-4-2-1-3-5-17/h1-13,15,19H,14H2,(H,26,29)
InChIKeyUMAPXAVHVAWMSB-UHFFFAOYSA-N
XLogP4.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide (CID 164627001) is 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide is O=C(NC(Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is UMAPXAVHVAWMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c24-18-8-6-16(7-9-18)20-10-11-21(30-20)23(29)26-19(14-27-13-12-25-15-27)22(28)17-4-2-1-3-5-17/h1-13,15,19H,14H2,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 435.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 164627001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).