4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide

C19H19N3O2S — CID 52513389

IUPAC4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1cccs1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H19N3O2S/c1-13(19-20-12-15(22-19)14-6-3-2-4-7-14)21-18(24)10-9-16(23)17-8-5-11-25-17/h2-8,11-13H,9-10H2,1H3,(H,20,22)(H,21,24)/t13-/m1/s1
InChIKeyVMKSOCITPBWSQQ-CYBMUJFWSA-N
MW353.45 g/mol
LogP3.98
Rot. Bonds7

About 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 52513389) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID52513389
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1cccs1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H19N3O2S/c1-13(19-20-12-15(22-19)14-6-3-2-4-7-14)21-18(24)10-9-16(23)17-8-5-11-25-17/h2-8,11-13H,9-10H2,1H3,(H,20,22)(H,21,24)/t13-/m1/s1
InChIKeyVMKSOCITPBWSQQ-CYBMUJFWSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide 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

4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 52522199
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide
CID 56504550
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 95287151
2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-sulfanylpropanoic acid
CID 108796380
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide (CID 52513389) is 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide is C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is VMKSOCITPBWSQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(19-20-12-15(22-19)14-6-3-2-4-7-14)21-18(24)10-9-16(23)17-8-5-11-25-17/h2-8,11-13H,9-10H2,1H3,(H,20,22)(H,21,24)/t13-/m1/s1.
What are the key properties of 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 353.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 52513389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).