3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C19H21N3O3S — CID 4794791

IUPAC3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(14-6-9-16(10-7-14)26(20,24)25)22-19(23)11-8-15-12-21-18-5-3-2-4-17(15)18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyOPKGDEYLAIOCBC-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 4794791) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID4794791
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(14-6-9-16(10-7-14)26(20,24)25)22-19(23)11-8-15-12-21-18-5-3-2-4-17(15)18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyOPKGDEYLAIOCBC-UHFFFAOYSA-N
XLogP2.63
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide 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

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 4794791) is 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is OPKGDEYLAIOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(14-6-9-16(10-7-14)26(20,24)25)22-19(23)11-8-15-12-21-18-5-3-2-4-17(15)18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 4794791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).