4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H13Br2ClN2O3S — CID 55329890

IUPAC4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H13Br2ClN2O3S/c1-20(15(22)12-6-9(16)14(17)24-12)7-13(21)19-10-5-8(18)3-4-11(10)23-2/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyLGQSFDHICFUNRZ-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.65
Rot. Bonds5

About 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55329890) has the molecular formula C15H13Br2ClN2O3S and a molecular weight of 496.61 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55329890
Molecular FormulaC15H13Br2ClN2O3S
Molecular Weight496.61 g/mol
Exact Mass493.87
IUPAC Name4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H13Br2ClN2O3S/c1-20(15(22)12-6-9(16)14(17)24-12)7-13(21)19-10-5-8(18)3-4-11(10)23-2/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyLGQSFDHICFUNRZ-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987562
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
3-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 25162589
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
5-bromo-N-[2-(5-bromo-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55905137
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
2-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17439790
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
5-bromo-N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55883535
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55329890) is 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LGQSFDHICFUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClN2O3S/c1-20(15(22)12-6-9(16)14(17)24-12)7-13(21)19-10-5-8(18)3-4-11(10)23-2/h3-6H,7H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55329890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).