ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate

C23H24N2O6S2 — CID 53061878

IUPACethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-4-30-19-11-9-18(10-12-19)25(3)33(28,29)20-13-14-32-21(20)22(26)24-17-8-6-7-16(15-17)23(27)31-5-2/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyCWBOWKBAALOURN-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.40
Rot. Bonds9

About ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate

ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate (PubChem CID 53061878) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
PubChem CID53061878
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Nameethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-4-30-19-11-9-18(10-12-19)25(3)33(28,29)20-13-14-32-21(20)22(26)24-17-8-6-7-16(15-17)23(27)31-5-2/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyCWBOWKBAALOURN-UHFFFAOYSA-N
XLogP4.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate (CID 53061878) is ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1.
What is the InChIKey of ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The InChIKey is CWBOWKBAALOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-4-30-19-11-9-18(10-12-19)25(3)33(28,29)20-13-14-32-21(20)22(26)24-17-8-6-7-16(15-17)23(27)31-5-2/h6-15H,4-5H2,1-3H3,(H,24,26).
What are the key properties of ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate has a molecular weight of 488.59 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 53061878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).