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

C22H18ClN3OS — CID 53348138

IUPAC5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27)
InChIKeyVUQYJWCIEWHLQA-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.28
Rot. Bonds6

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

5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide (PubChem CID 53348138) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide
PubChem CID53348138
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC Name5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27)
InChIKeyVUQYJWCIEWHLQA-UHFFFAOYSA-N
XLogP5.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide (CID 53348138) is 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide is O=C(NCC(c1ccccc1)n1ccnc1)c1csc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide?
The InChIKey is VUQYJWCIEWHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide?
5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 53348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).