ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate

C25H25N3O8S2 — CID 121041825

IUPACethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)c1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc(C(=O)OCC)c1C
InChIInChI=1S/C25H25N3O8S2/c1-4-35-24(31)20-15(3)19(22(30)27-25(32)36-5-2)23(37-20)26-21(29)16-10-9-11-17(14-16)28-38(33,34)18-12-7-6-8-13-18/h6-14,28H,4-5H2,1-3H3,(H,26,29)(H,27,30,32)
InChIKeySAKHBESZILZQJA-UHFFFAOYSA-N
MW559.62 g/mol
LogP4.17
Rot. Bonds9

About ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate

ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate (PubChem CID 121041825) has the molecular formula C25H25N3O8S2 and a molecular weight of 559.62 g/mol. Its IUPAC name is ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
PubChem CID121041825
Molecular FormulaC25H25N3O8S2
Molecular Weight559.62 g/mol
Exact Mass559.11
IUPAC Nameethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)c1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc(C(=O)OCC)c1C
InChIInChI=1S/C25H25N3O8S2/c1-4-35-24(31)20-15(3)19(22(30)27-25(32)36-5-2)23(37-20)26-21(29)16-10-9-11-17(14-16)28-38(33,34)18-12-7-6-8-13-18/h6-14,28H,4-5H2,1-3H3,(H,26,29)(H,27,30,32)
InChIKeySAKHBESZILZQJA-UHFFFAOYSA-N
XLogP4.17
TPSA156.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-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 4-(ethoxycarbonylcarbamoyl)-5-[(3-ethylsulfonylbenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 41044258
ethyl N-[2-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 121042221
ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxylate
CID 121046264
ethyl 5-(benzenesulfonamido)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 126063687
ethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 121041239
ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 7521374
ethyl N-[2-[(3-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 16822972
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
diethyl 2-[[3-(benzenesulfonamido)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 121041623
diethyl 5-[[2-(benzenesulfonamido)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121040692
ethyl N-[4,5-dimethyl-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 121044244
ethyl 2-[[3-(benzenesulfonamido)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 121041585

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate (CID 121041825) is ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate is CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc(C(=O)OCC)c1C.
What is the InChIKey of ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate?
The InChIKey is SAKHBESZILZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O8S2/c1-4-35-24(31)20-15(3)19(22(30)27-25(32)36-5-2)23(37-20)26-21(29)16-10-9-11-17(14-16)28-38(33,34)18-12-7-6-8-13-18/h6-14,28H,4-5H2,1-3H3,(H,26,29)(H,27,30,32).
What are the key properties of ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate?
ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate has a molecular weight of 559.62 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 121041825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).