4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C11H8Br2N2O3S — CID 107949461

IUPAC4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2cc(Br)sc2Br)c1C(=O)O
InChIInChI=1S/C11H8Br2N2O3S/c1-4-8(11(17)18)6(3-14-4)15-10(16)5-2-7(12)19-9(5)13/h2-3,14H,1H3,(H,15,16)(H,17,18)
InChIKeyAZYWSXBENICOTC-UHFFFAOYSA-N
MW408.07 g/mol
LogP3.86
Rot. Bonds3

About 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 107949461) has the molecular formula C11H8Br2N2O3S and a molecular weight of 408.07 g/mol. Its IUPAC name is 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID107949461
Molecular FormulaC11H8Br2N2O3S
Molecular Weight408.07 g/mol
Exact Mass405.86
IUPAC Name4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2cc(Br)sc2Br)c1C(=O)O
InChIInChI=1S/C11H8Br2N2O3S/c1-4-8(11(17)18)6(3-14-4)15-10(16)5-2-7(12)19-9(5)13/h2-3,14H,1H3,(H,15,16)(H,17,18)
InChIKeyAZYWSXBENICOTC-UHFFFAOYSA-N
XLogP3.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433
4-[(2,4-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881232
4-[(2-hydroxy-5-iodobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107731449
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165
2-methyl-4-[(3,4,5-trifluorobenzoyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82876120
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82878012
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 113237224

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 107949461) is 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)c2cc(Br)sc2Br)c1C(=O)O.
What is the InChIKey of 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is AZYWSXBENICOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O3S/c1-4-8(11(17)18)6(3-14-4)15-10(16)5-2-7(12)19-9(5)13/h2-3,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 408.07 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 107949461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).