ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C16H18N2O4S — CID 134056648

IUPACethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(OC)nc2)sc(C)c1C
InChIInChI=1S/C16H18N2O4S/c1-5-22-16(20)13-9(2)10(3)23-15(13)18-14(19)11-6-7-12(21-4)17-8-11/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyIVLFMMHHQCVWHU-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 134056648) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID134056648
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(OC)nc2)sc(C)c1C
InChIInChI=1S/C16H18N2O4S/c1-5-22-16(20)13-9(2)10(3)23-15(13)18-14(19)11-6-7-12(21-4)17-8-11/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyIVLFMMHHQCVWHU-UHFFFAOYSA-N
XLogP3.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylate
CID 115777763
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 5-[(6-methoxypyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 134015968
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
ethyl 2-[(6-chloropyridine-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 52895368
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 2-[(4-bromo-3-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902197
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
ethyl 2-[(3,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902176
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 673523
ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 42997935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 134056648) is ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(OC)nc2)sc(C)c1C.
What is the InChIKey of ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IVLFMMHHQCVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-5-22-16(20)13-9(2)10(3)23-15(13)18-14(19)11-6-7-12(21-4)17-8-11/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 134056648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).