methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C20H23N3O4S2 — CID 41018230

IUPACmethyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2
InChIInChI=1S/C20H23N3O4S2/c1-4-28-14-8-6-5-7-13(14)17(24)22-19-16(18(25)21-2)12-9-10-23(20(26)27-3)11-15(12)29-19/h5-8H,4,9-11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHWVGXNSHYDLKTR-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.60
Rot. Bonds5

About methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 41018230) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID41018230
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Namemethyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2
InChIInChI=1S/C20H23N3O4S2/c1-4-28-14-8-6-5-7-13(14)17(24)22-19-16(18(25)21-2)12-9-10-23(20(26)27-3)11-15(12)29-19/h5-8H,4,9-11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHWVGXNSHYDLKTR-UHFFFAOYSA-N
XLogP3.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018196
methyl 2-[(2,3-dimethoxybenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018217
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018182
methyl 2-[(4-cyanobenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588954
methyl 2-[(3,4-dimethylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588962
methyl 3-(methylcarbamoyl)-2-[(3-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 16823458
ethyl 3-carbamoyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3320130
dimethyl 2-[(2-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017965
dimethyl 2-[(2,5-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017932
methyl 2-[[3-(benzenesulfonamido)benzoyl]amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993611
6-O-ethyl 3-O-methyl 2-[(4-ethylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41044410
3-O-ethyl 6-O-methyl 2-[(2,2-diphenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41018037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 41018230) is methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2.
What is the InChIKey of methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is HWVGXNSHYDLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-4-28-14-8-6-5-7-13(14)17(24)22-19-16(18(25)21-2)12-9-10-23(20(26)27-3)11-15(12)29-19/h5-8H,4,9-11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 433.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 41018230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).