ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate

C23H24N2O5S2 — CID 23856509

IUPACethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc(C)c1C
InChIInChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-19(14-12-17)32(28,29)25(4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyIFFPFXOGYLFLJD-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.62
Rot. Bonds7

About ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate (PubChem CID 23856509) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
PubChem CID23856509
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Nameethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc(C)c1C
InChIInChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-19(14-12-17)32(28,29)25(4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyIFFPFXOGYLFLJD-UHFFFAOYSA-N
XLogP4.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate (CID 23856509) is ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The InChIKey is IFFPFXOGYLFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-19(14-12-17)32(28,29)25(4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26).
What are the key properties of ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 23856509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).