N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

C21H16FN3OS — CID 60557245

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C21H16FN3OS/c1-14-2-4-15(5-3-14)17-8-11-27-20(17)21(26)24-16-6-7-19(18(22)12-16)25-10-9-23-13-25/h2-13H,1H3,(H,24,26)
InChIKeyPUSXXNHAGVOZGM-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.30
Rot. Bonds4

About N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 60557245) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID60557245
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C21H16FN3OS/c1-14-2-4-15(5-3-14)17-8-11-27-20(17)21(26)24-16-6-7-19(18(22)12-16)25-10-9-23-13-25/h2-13H,1H3,(H,24,26)
InChIKeyPUSXXNHAGVOZGM-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)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-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 55955783
1-(3-fluoro-4-methylphenyl)-3-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]thiourea
CID 8560745
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55855859
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7669337
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
(2S)-2-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 119860264

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 60557245) is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PUSXXNHAGVOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-14-2-4-15(5-3-14)17-8-11-27-20(17)21(26)24-16-6-7-19(18(22)12-16)25-10-9-23-13-25/h2-13H,1H3,(H,24,26).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 60557245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).