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

C14H16N2O3S — CID 82880510

IUPAC4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1cc(C(=O)Nc2c[nH]c(C)c2C(=O)O)sc1C
InChIInChI=1S/C14H16N2O3S/c1-4-9-5-11(20-8(9)3)13(17)16-10-6-15-7(2)12(10)14(18)19/h5-6,15H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLUILMUBXRDBMFB-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.21
Rot. Bonds4

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

4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880510) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880510
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1cc(C(=O)Nc2c[nH]c(C)c2C(=O)O)sc1C
InChIInChI=1S/C14H16N2O3S/c1-4-9-5-11(20-8(9)3)13(17)16-10-6-15-7(2)12(10)14(18)19/h5-6,15H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLUILMUBXRDBMFB-UHFFFAOYSA-N
XLogP3.21
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82878012
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107812502
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356570
4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880744
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 103933173
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880510) is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is CCc1cc(C(=O)Nc2c[nH]c(C)c2C(=O)O)sc1C.
What is the InChIKey of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is LUILMUBXRDBMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-9-5-11(20-8(9)3)13(17)16-10-6-15-7(2)12(10)14(18)19/h5-6,15H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).