ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H23N3O3S — CID 2810963

IUPACethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C19H23N3O3S/c1-4-25-18(23)16-14-9-10-22(3)11-15(14)26-17(16)21-19(24)20-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2,20,21,24)
InChIKeyVUYKSZUDMFHYMP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.87
Rot. Bonds4

About ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 2810963) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID2810963
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C19H23N3O3S/c1-4-25-18(23)16-14-9-10-22(3)11-15(14)26-17(16)21-19(24)20-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2,20,21,24)
InChIKeyVUYKSZUDMFHYMP-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

Tinoridine
CID 5480
Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
Tinoridine Hydrochloride
CID 134896
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester
CID 988666
Ethyl 2-amino-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 207316
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate
CID 2359669
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
diethyl 2-[(phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
CID 1047282
5h-Thieno[2,3-c]pyran-3-carboxamide, 4,7-dihydro-5,5-dimethyl-2-[[(phenylamino)carbonyl]amino]-
CID 777124
5-[Anilino(oxo)methyl]-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxylic acid methyl ester
CID 829010

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 2810963) is ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCN(C)C2.
What is the InChIKey of ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is VUYKSZUDMFHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-25-18(23)16-14-9-10-22(3)11-15(14)26-17(16)21-19(24)20-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2,20,21,24).
What are the key properties of ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[(4-methylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 2810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).