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

C18H15BrN2O3S — CID 19499167

IUPACN-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)cc1
InChIInChI=1S/C18H15BrN2O3S/c1-23-14-3-5-15(6-4-14)24-10-12-8-16(25-11-12)18(22)21-17-7-2-13(19)9-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyRSIWYCQGDYYTEM-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.75
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19499167) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19499167
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)cc1
InChIInChI=1S/C18H15BrN2O3S/c1-23-14-3-5-15(6-4-14)24-10-12-8-16(25-11-12)18(22)21-17-7-2-13(19)9-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyRSIWYCQGDYYTEM-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-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500887
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499191
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 86847511
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-[(4-chlorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19503442

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19499167) is N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)Nc3ccc(Br)cn3)c2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is RSIWYCQGDYYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-23-14-3-5-15(6-4-14)24-10-12-8-16(25-11-12)18(22)21-17-7-2-13(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-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4-[(4-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-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19499167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).