ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C22H22N2O3S — CID 3712663

IUPACethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C)C2
InChIInChI=1S/C22H22N2O3S/c1-3-27-22(26)19-17-11-12-24(2)13-18(17)28-21(19)23-20(25)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3,(H,23,25)
InChIKeyUNVRYXNCEWMSBH-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.32
Rot. Bonds4

About ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 3712663) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID3712663
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Nameethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C)C2
InChIInChI=1S/C22H22N2O3S/c1-3-27-22(26)19-17-11-12-24(2)13-18(17)28-21(19)23-20(25)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3,(H,23,25)
InChIKeyUNVRYXNCEWMSBH-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-methyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712667
ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712671
ethyl 2-(naphthalene-1-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1049875
ethyl 6-methyl-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4577197
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5146460
ethyl 2-[(2,4-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973245
ethyl 6-methyl-2-(methylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 134113577
ethyl 2-[(4-ethoxybenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973287
ethyl 6-methyl-2-(9H-xanthene-9-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950171
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989541
ethyl 6-acetyl-2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4667439
ethyl 2-[(4-cyanobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973280

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 3712663) is ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C)C2.
What is the InChIKey of ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is UNVRYXNCEWMSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-27-22(26)19-17-11-12-24(2)13-18(17)28-21(19)23-20(25)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 394.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 3712663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).