1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea

C17H18N4O3S — CID 24650587

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N4O3S/c18-25(23,24)14-7-5-13(6-8-14)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,18,23,24)(H2,19,21,22)
InChIKeyODYDRYZSTPMACB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea

1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 24650587) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
PubChem CID24650587
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N4O3S/c18-25(23,24)14-7-5-13(6-8-14)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,18,23,24)(H2,19,21,22)
InChIKeyODYDRYZSTPMACB-UHFFFAOYSA-N
XLogP2.18
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea 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

1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 110996065
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea (CID 24650587) is 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is ODYDRYZSTPMACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-25(23,24)14-7-5-13(6-8-14)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,18,23,24)(H2,19,21,22).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 358.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 24650587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).