4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide

C14H13Br2NO2S — CID 39498025

IUPAC4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H13Br2NO2S/c1-8(2)19-11-6-4-3-5-10(11)17-14(18)12-7-9(15)13(16)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyFUMWUQMEWIKFAU-UHFFFAOYSA-N
MW419.14 g/mol
LogP5.31
Rot. Bonds4

About 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide (PubChem CID 39498025) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
PubChem CID39498025
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC Name4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H13Br2NO2S/c1-8(2)19-11-6-4-3-5-10(11)17-14(18)12-7-9(15)13(16)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyFUMWUQMEWIKFAU-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.14
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
CID 103885259
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide (CID 39498025) is 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The InChIKey is FUMWUQMEWIKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c1-8(2)19-11-6-4-3-5-10(11)17-14(18)12-7-9(15)13(16)20-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide has a molecular weight of 419.14 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 39498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).