N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide

C15H8BrClF2N2O2S — CID 19580855

IUPACN-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1sc2cccc(OC(F)F)c2c1Cl
InChIInChI=1S/C15H8BrClF2N2O2S/c16-7-4-5-10(20-6-7)21-14(22)13-12(17)11-8(23-15(18)19)2-1-3-9(11)24-13/h1-6,15H,(H,20,21,22)
InChIKeyXOSICLOWOFUFKU-UHFFFAOYSA-N
MW433.66 g/mol
LogP5.57
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide (PubChem CID 19580855) has the molecular formula C15H8BrClF2N2O2S and a molecular weight of 433.66 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide
PubChem CID19580855
Molecular FormulaC15H8BrClF2N2O2S
Molecular Weight433.66 g/mol
Exact Mass431.91
IUPAC NameN-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1sc2cccc(OC(F)F)c2c1Cl
InChIInChI=1S/C15H8BrClF2N2O2S/c16-7-4-5-10(20-6-7)21-14(22)13-12(17)11-8(23-15(18)19)2-1-3-9(11)24-13/h1-6,15H,(H,20,21,22)
InChIKeyXOSICLOWOFUFKU-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.66
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[(2,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 23653649
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4775286
N-(5-bromo-2-pyridinyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500759
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774786
3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4676424
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide (CID 19580855) is N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1sc2cccc(OC(F)F)c2c1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide?
The InChIKey is XOSICLOWOFUFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF2N2O2S/c16-7-4-5-10(20-6-7)21-14(22)13-12(17)11-8(23-15(18)19)2-1-3-9(11)24-13/h1-6,15H,(H,20,21,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide has a molecular weight of 433.66 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19580855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).