[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate

C23H24N2O5S2 — CID 55481325

IUPAC[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C23H24N2O5S2/c1-16(2)17-6-3-8-19(12-17)25-22(26)15-30-23(27)18-7-4-10-21(13-18)32(28,29)24-14-20-9-5-11-31-20/h3-13,16,24H,14-15H2,1-2H3,(H,25,26)
InChIKeyHPGBCPZWROJSKP-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.15
Rot. Bonds9

About [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate

[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate (PubChem CID 55481325) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
PubChem CID55481325
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C23H24N2O5S2/c1-16(2)17-6-3-8-19(12-17)25-22(26)15-30-23(27)18-7-4-10-21(13-18)32(28,29)24-14-20-9-5-11-31-20/h3-13,16,24H,14-15H2,1-2H3,(H,25,26)
InChIKeyHPGBCPZWROJSKP-UHFFFAOYSA-N
XLogP4.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55368168
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55403385
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 8520594
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55425233
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 55313269
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
(1,3-dioxoisoindol-2-yl)methyl 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 41451176
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607600
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768418
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 8006710

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate (CID 55481325) is [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate is CC(C)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1.
What is the InChIKey of [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate?
The InChIKey is HPGBCPZWROJSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-16(2)17-6-3-8-19(12-17)25-22(26)15-30-23(27)18-7-4-10-21(13-18)32(28,29)24-14-20-9-5-11-31-20/h3-13,16,24H,14-15H2,1-2H3,(H,25,26).
What are the key properties of [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate?
[2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate has a molecular weight of 472.59 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 55481325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).