ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate

C14H16N2O3S — CID 60795100

IUPACethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cccn1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-14(18)10-8-9(2)20-13(10)15-12(17)11-6-5-7-16(11)3/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyLNCDNYCITSOFQX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.82
Rot. Bonds4

About ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 60795100) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID60795100
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cccn1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-14(18)10-8-9(2)20-13(10)15-12(17)11-6-5-7-16(11)3/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyLNCDNYCITSOFQX-UHFFFAOYSA-N
XLogP2.82
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 63617190
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616317
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate (CID 60795100) is ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1cccn1C.
What is the InChIKey of ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is LNCDNYCITSOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-19-14(18)10-8-9(2)20-13(10)15-12(17)11-6-5-7-16(11)3/h5-8H,4H2,1-3H3,(H,15,17).
What are the key properties of ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 60795100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).