diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

C19H21ClN2O7S2 — CID 163888027

IUPACdiethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2C)c(C(=O)OCC)c1C
InChIInChI=1S/C19H21ClN2O7S2/c1-5-28-18(24)14-10(4)15(19(25)29-6-2)30-17(14)22-16(23)11-8-13(31(21,26)27)12(20)7-9(11)3/h7-8H,5-6H2,1-4H3,(H,22,23)(H2,21,26,27)
InChIKeyPZCHOVWFOBFRRL-UHFFFAOYSA-N
MW488.97 g/mol
LogP3.27
Rot. Bonds7

About diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 163888027) has the molecular formula C19H21ClN2O7S2 and a molecular weight of 488.97 g/mol. Its IUPAC name is diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID163888027
Molecular FormulaC19H21ClN2O7S2
Molecular Weight488.97 g/mol
Exact Mass488.05
IUPAC Namediethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2C)c(C(=O)OCC)c1C
InChIInChI=1S/C19H21ClN2O7S2/c1-5-28-18(24)14-10(4)15(19(25)29-6-2)30-17(14)22-16(23)11-8-13(31(21,26)27)12(20)7-9(11)3/h7-8H,5-6H2,1-4H3,(H,22,23)(H2,21,26,27)
InChIKeyPZCHOVWFOBFRRL-UHFFFAOYSA-N
XLogP3.27
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate 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

diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1115915
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
4-O-ethyl 2-O-methyl 5-[(5-bromo-2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1327584
diethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 2787716
ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-[(3,4-dimethylphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 126118940
diethyl 5-[[5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3123952
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
diethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121041096
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156
diethyl 5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5052468
diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 166212023

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 163888027) is diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2C)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is PZCHOVWFOBFRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O7S2/c1-5-28-18(24)14-10(4)15(19(25)29-6-2)30-17(14)22-16(23)11-8-13(31(21,26)27)12(20)7-9(11)3/h7-8H,5-6H2,1-4H3,(H,22,23)(H2,21,26,27).
What are the key properties of diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 488.97 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 163888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).