ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

C19H25N2O3S2+ — CID 7163954

IUPACethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C
InChIInChI=1S/C19H24N2O3S2/c1-6-24-17(23)13-11-10-18(2,3)21-19(4,5)14(11)26-16(13)20-15(22)12-8-7-9-25-12/h7-9,21H,6,10H2,1-5H3,(H,20,22)/p+1
InChIKeyDSNWJLJKOWHAQB-UHFFFAOYSA-O
MW393.55 g/mol
LogP3.37
Rot. Bonds4

About ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate (PubChem CID 7163954) has the molecular formula C19H25N2O3S2+ and a molecular weight of 393.55 g/mol. Its IUPAC name is ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
PubChem CID7163954
Molecular FormulaC19H25N2O3S2+
Molecular Weight393.55 g/mol
Exact Mass393.13
IUPAC Nameethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C
InChIInChI=1S/C19H24N2O3S2/c1-6-24-17(23)13-11-10-18(2,3)21-19(4,5)14(11)26-16(13)20-15(22)12-8-7-9-25-12/h7-9,21H,6,10H2,1-5H3,(H,20,22)/p+1
InChIKeyDSNWJLJKOWHAQB-UHFFFAOYSA-O
XLogP3.37
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(3-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7163952
ethyl 2-[(2-chloroacetyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 2404792
ethyl 5,5,7,7-tetramethyl-2-(propan-2-ylcarbamothioylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 8624512
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide
CID 6957449
ethyl 5,5,7,7-tetramethyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 2714648
2-[(4-ethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7163926
ethyl 5-bromo-4-(2-methylpropyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 23996164
ethyl 5,5,7,7-tetramethyl-2-[(2-thiophen-2-ylacetyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 41341232
ethyl 4-(4-methoxyphenyl)-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1047804
2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7177264
5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7166727
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The IUPAC name of ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate (CID 7163954) is ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate.
What is the SMILES notation for ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The canonical SMILES for ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C.
What is the InChIKey of ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
The InChIKey is DSNWJLJKOWHAQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3S2/c1-6-24-17(23)13-11-10-18(2,3)21-19(4,5)14(11)26-16(13)20-15(22)12-8-7-9-25-12/h7-9,21H,6,10H2,1-5H3,(H,20,22)/p+1.
What are the key properties of ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate?
ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate has a molecular weight of 393.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate is sourced from PubChem (CID 7163954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).