ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C26H25N3O6S2 — CID 121043248

IUPACethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C26H25N3O6S2/c1-5-35-26(31)23-22(21-15(2)13-16(3)27-25(21)36-23)28-24(30)17-7-6-8-18(14-17)29-37(32,33)20-11-9-19(34-4)10-12-20/h6-14,29H,5H2,1-4H3,(H,28,30)
InChIKeyYGOOYFYHVRPXKP-UHFFFAOYSA-N
MW539.64 g/mol
LogP5.15
Rot. Bonds8

About ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 121043248) has the molecular formula C26H25N3O6S2 and a molecular weight of 539.64 g/mol. Its IUPAC name is ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID121043248
Molecular FormulaC26H25N3O6S2
Molecular Weight539.64 g/mol
Exact Mass539.12
IUPAC Nameethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C26H25N3O6S2/c1-5-35-26(31)23-22(21-15(2)13-16(3)27-25(21)36-23)28-24(30)17-7-6-8-18(14-17)29-37(32,33)20-11-9-19(34-4)10-12-20/h6-14,29H,5H2,1-4H3,(H,28,30)
InChIKeyYGOOYFYHVRPXKP-UHFFFAOYSA-N
XLogP5.15
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 4,6-dimethyl-3-[(3-methylsulfonylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 40952135
ethyl 4,6-dimethyl-3-[(3-phenoxybenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 2373730
ethyl 3-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 121040906
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10358756
ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 67549756
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043315
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 121041825

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 121043248) is ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YGOOYFYHVRPXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6S2/c1-5-35-26(31)23-22(21-15(2)13-16(3)27-25(21)36-23)28-24(30)17-7-6-8-18(14-17)29-37(32,33)20-11-9-19(34-4)10-12-20/h6-14,29H,5H2,1-4H3,(H,28,30).
What are the key properties of ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 539.64 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 121043248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).