N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

C18H15BrN2O3S — CID 19500887

IUPACN-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-14-3-2-4-15(8-14)24-10-12-7-16(25-11-12)18(22)21-17-6-5-13(19)9-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyJTYWSBGNCADPHI-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.75
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19500887) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19500887
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-14-3-2-4-15(8-14)24-10-12-7-16(25-11-12)18(22)21-17-6-5-13(19)9-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyJTYWSBGNCADPHI-UHFFFAOYSA-N
XLogP4.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499167
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505338
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500883
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505191
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19500887) is N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1cccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is JTYWSBGNCADPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-23-14-3-2-4-15(8-14)24-10-12-7-16(25-11-12)18(22)21-17-6-5-13(19)9-20-17/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 419.30 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19500887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).