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

C24H25BrN2O2S — CID 20964455

IUPACN-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1)C2c1ccc(OC)cc1
InChIInChI=1S/C24H25BrN2O2S/c1-4-20-15(2)30-23-21(20)13-14-27(22(23)16-5-11-19(29-3)12-6-16)24(28)26-18-9-7-17(25)8-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyRSHKWVDIVDPCFK-UHFFFAOYSA-N
MW485.45 g/mol
LogP6.57
Rot. Bonds4

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

N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 20964455) has the molecular formula C24H25BrN2O2S and a molecular weight of 485.45 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID20964455
Molecular FormulaC24H25BrN2O2S
Molecular Weight485.45 g/mol
Exact Mass484.08
IUPAC NameN-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1)C2c1ccc(OC)cc1
InChIInChI=1S/C24H25BrN2O2S/c1-4-20-15(2)30-23-21(20)13-14-27(22(23)16-5-11-19(29-3)12-6-16)24(28)26-18-9-7-17(25)8-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyRSHKWVDIVDPCFK-UHFFFAOYSA-N
XLogP6.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.45
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964448
(7S)-N-(4-bromophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711660
3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964447
N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964435
(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
N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964517
N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964439
(7S)-N-benzyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711818
(1R)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745382
6-methoxy-1-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920946
(1R)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745466
N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide
CID 20964320

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 20964455) is N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(Br)cc1)C2c1ccc(OC)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is RSHKWVDIVDPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O2S/c1-4-20-15(2)30-23-21(20)13-14-27(22(23)16-5-11-19(29-3)12-6-16)24(28)26-18-9-7-17(25)8-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 485.45 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 20964455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).