ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C23H30N2O5S2 — CID 16838528

IUPACethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCN(CC)C2
InChIInChI=1S/C23H30N2O5S2/c1-5-25-12-11-18-19(14-25)31-22(21(18)23(27)30-6-2)24-20(26)13-16-7-9-17(10-8-16)32(28,29)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,24,26)
InChIKeyINYQWWTWUNLQDN-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.67
Rot. Bonds8

About ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 16838528) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID16838528
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Nameethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCN(CC)C2
InChIInChI=1S/C23H30N2O5S2/c1-5-25-12-11-18-19(14-25)31-22(21(18)23(27)30-6-2)24-20(26)13-16-7-9-17(10-8-16)32(28,29)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,24,26)
InChIKeyINYQWWTWUNLQDN-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 16837948
ethyl 6-ethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 8718623
ethyl 6-ethyl-2-[(4-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989697
ethyl 6-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 17468013
ethyl 6-ethyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 7545019
ethyl 6-ethyl-2-[[2-(4-methylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950132
ethyl 6-ethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3626023
6-ethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861046
ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43949958
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3344598
diethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41139472
ethyl 6-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43949988

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 16838528) is ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCN(CC)C2.
What is the InChIKey of ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is INYQWWTWUNLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-5-25-12-11-18-19(14-25)31-22(21(18)23(27)30-6-2)24-20(26)13-16-7-9-17(10-8-16)32(28,29)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,24,26).
What are the key properties of ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 478.64 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 16838528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).