4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide

C20H21N3O2S — CID 108729411

IUPAC4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-4-6-15(7-5-14)17(24)8-9-19(25)21-11-10-16-20(23-13-22-16)18-3-2-12-26-18/h2-7,12-13H,8-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyALFWMWJGRDQVLW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.77
Rot. Bonds8

About 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide

4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 108729411) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
PubChem CID108729411
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-4-6-15(7-5-14)17(24)8-9-19(25)21-11-10-16-20(23-13-22-16)18-3-2-12-26-18/h2-7,12-13H,8-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyALFWMWJGRDQVLW-UHFFFAOYSA-N
XLogP3.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108753044
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108811342
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108729419
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729318

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide (CID 108729411) is 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCCc2[nH]cnc2-c2cccs2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is ALFWMWJGRDQVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-4-6-15(7-5-14)17(24)8-9-19(25)21-11-10-16-20(23-13-22-16)18-3-2-12-26-18/h2-7,12-13H,8-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 367.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 108729411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).