N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide

C17H17N3OS — CID 58284834

IUPACN-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(-c3ccccc3)nc2C)s1
InChIInChI=1S/C17H17N3OS/c1-3-18-17(21)15-9-10-16(22-15)20-11-14(19-12(20)2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyDIWXLJKBMRSXIC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide

N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284834) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284834
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(-c3ccccc3)nc2C)s1
InChIInChI=1S/C17H17N3OS/c1-3-18-17(21)15-9-10-16(22-15)20-11-14(19-12(20)2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyDIWXLJKBMRSXIC-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide (CID 58284834) is N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide is CCNC(=O)c1ccc(-n2cc(-c3ccccc3)nc2C)s1.
What is the InChIKey of N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is DIWXLJKBMRSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-18-17(21)15-9-10-16(22-15)20-11-14(19-12(20)2)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide?
N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).