ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate

C19H20N2O4S — CID 164612993

IUPACethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(S(N)(=O)=O)ccc2n1CCc1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-2-25-19(22)18-13-15-12-16(26(20,23)24)8-9-17(15)21(18)11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H2,20,23,24)
InChIKeyPUCBAFJGGSMHCO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.71
Rot. Bonds6

About ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate

ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate (PubChem CID 164612993) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate
PubChem CID164612993
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Nameethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(S(N)(=O)=O)ccc2n1CCc1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-2-25-19(22)18-13-15-12-16(26(20,23)24)8-9-17(15)21(18)11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H2,20,23,24)
InChIKeyPUCBAFJGGSMHCO-UHFFFAOYSA-N
XLogP2.71
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2-phenylethyl)-5-sulfamoylindole-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 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
ethyl 5-nitro-1-propylindole-2-carboxylate
CID 12068604
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylate
CID 66850777
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 90082821
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
ethyl 5-acetyloxy-1-[(3-chlorophenyl)methyl]indole-2-carboxylate
CID 22718732

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate?
The IUPAC name of ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate (CID 164612993) is ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate is CCOC(=O)c1cc2cc(S(N)(=O)=O)ccc2n1CCc1ccccc1.
What is the InChIKey of ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate?
The InChIKey is PUCBAFJGGSMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-2-25-19(22)18-13-15-12-16(26(20,23)24)8-9-17(15)21(18)11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H2,20,23,24).
What are the key properties of ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate?
ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate is sourced from PubChem (CID 164612993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).