N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide

C16H15N3OS — CID 27812115

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
SMILESC[C@H](NC(=O)c1ccsc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3OS/c1-12(18-16(20)14-6-9-21-10-14)13-2-4-15(5-3-13)19-8-7-17-11-19/h2-12H,1H3,(H,18,20)/t12-/m0/s1
InChIKeyGDHIEJUBPZOCLW-LBPRGKRZSA-N
MW297.38 g/mol
LogP3.42
Rot. Bonds4

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 27812115) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID27812115
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
SMILESC[C@H](NC(=O)c1ccsc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3OS/c1-12(18-16(20)14-6-9-21-10-14)13-2-4-15(5-3-13)19-8-7-17-11-19/h2-12H,1H3,(H,18,20)/t12-/m0/s1
InChIKeyGDHIEJUBPZOCLW-LBPRGKRZSA-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-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-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-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
2-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 155944963
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide (CID 27812115) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide is C[C@H](NC(=O)c1ccsc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is GDHIEJUBPZOCLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12(18-16(20)14-6-9-21-10-14)13-2-4-15(5-3-13)19-8-7-17-11-19/h2-12H,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-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-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 27812115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).