N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide

C16H15N3OS — CID 4787429

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3OS/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20)
InChIKeyNPLKXRWQIDYRHY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 4787429) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID4787429
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3OS/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20)
InChIKeyNPLKXRWQIDYRHY-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 42917645
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
(3R)-3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 29430333
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide (CID 4787429) is N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is NPLKXRWQIDYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4787429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).