2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid

C11H8Cl2N2O3S — CID 43357342

IUPAC2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCn1c(C(=O)Nc2sccc2C(=O)O)cc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O3S/c1-15-7(4-6(12)8(15)13)9(16)14-10-5(11(17)18)2-3-19-10/h2-4H,1H3,(H,14,16)(H,17,18)
InChIKeyOYASKPODXGDCBS-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid

2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357342) has the molecular formula C11H8Cl2N2O3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID43357342
Molecular FormulaC11H8Cl2N2O3S
Molecular Weight319.17 g/mol
Exact Mass317.96
IUPAC Name2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCn1c(C(=O)Nc2sccc2C(=O)O)cc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O3S/c1-15-7(4-6(12)8(15)13)9(16)14-10-5(11(17)18)2-3-19-10/h2-4H,1H3,(H,14,16)(H,17,18)
InChIKeyOYASKPODXGDCBS-UHFFFAOYSA-N
XLogP3.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804
2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107971161
2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171469
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826732
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 43171489
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61143788
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
CID 55668837

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 43357342) is 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid is Cn1c(C(=O)Nc2sccc2C(=O)O)cc(Cl)c1Cl.
What is the InChIKey of 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is OYASKPODXGDCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S/c1-15-7(4-6(12)8(15)13)9(16)14-10-5(11(17)18)2-3-19-10/h2-4H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 319.17 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).