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

C14H16N2O3S — CID 82880897

IUPACethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(C)s2)c[nH]c1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-14(18)12-9(3)15-7-10(12)16-13(17)11-6-5-8(2)20-11/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyQMCXBRPAIXKGCY-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.12
Rot. Bonds4

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

ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate (PubChem CID 82880897) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
PubChem CID82880897
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(C)s2)c[nH]c1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-14(18)12-9(3)15-7-10(12)16-13(17)11-6-5-8(2)20-11/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyQMCXBRPAIXKGCY-UHFFFAOYSA-N
XLogP3.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-chlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877565
ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
CID 104669954
ethyl 4-[(2-bromobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82876245
ethyl 4-[(4-chloropyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877985
ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82881459
ethyl 4-[(6-chloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877268
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82880240
4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82878012
ethyl 2-methyl-4-(pent-4-ynoylamino)-1H-pyrrole-3-carboxylate
CID 114028551
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448
ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate
CID 82880935
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate (CID 82880897) is ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(C)s2)c[nH]c1C.
What is the InChIKey of ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate?
The InChIKey is QMCXBRPAIXKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-19-14(18)12-9(3)15-7-10(12)16-13(17)11-6-5-8(2)20-11/h5-7,15H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 82880897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).