N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C23H22BrFN2OS — CID 20964435

IUPACN-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1F)C2c1ccccc1
InChIInChI=1S/C23H22BrFN2OS/c1-3-17-14(2)29-22-18(17)11-12-27(21(22)15-7-5-4-6-8-15)23(28)26-20-10-9-16(24)13-19(20)25/h4-10,13,21H,3,11-12H2,1-2H3,(H,26,28)
InChIKeyUKQZHOOLKNFGKD-UHFFFAOYSA-N
MW473.41 g/mol
LogP6.70
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 20964435) has the molecular formula C23H22BrFN2OS and a molecular weight of 473.41 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID20964435
Molecular FormulaC23H22BrFN2OS
Molecular Weight473.41 g/mol
Exact Mass472.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1F)C2c1ccccc1
InChIInChI=1S/C23H22BrFN2OS/c1-3-17-14(2)29-22-18(17)11-12-27(21(22)15-7-5-4-6-8-15)23(28)26-20-10-9-16(24)13-19(20)25/h4-10,13,21H,3,11-12H2,1-2H3,(H,26,28)
InChIKeyUKQZHOOLKNFGKD-UHFFFAOYSA-N
XLogP6.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-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

(7S)-N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711656
(7S)-N-(4-bromophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711660
(7S)-N-benzyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711818
3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964447
N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964517
3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964448
(1S)-N-(3,5-dimethylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
CID 92711555
N-(4-bromo-3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
CID 20964404
N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808694
(2S)-N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732732
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
(1R)-N-[(4-fluorophenyl)methyl]-1-phenyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
CID 92711608

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 20964435) is N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1F)C2c1ccccc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is UKQZHOOLKNFGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN2OS/c1-3-17-14(2)29-22-18(17)11-12-27(21(22)15-7-5-4-6-8-15)23(28)26-20-10-9-16(24)13-19(20)25/h4-10,13,21H,3,11-12H2,1-2H3,(H,26,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 20964435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).