3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide

C13H17N3O3S — CID 43582891

IUPAC3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)8-7-15-13(17)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H2,14,18,19)
InChIKeyKJCSFNNRTCPOBU-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.51
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide

3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide (PubChem CID 43582891) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
PubChem CID43582891
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)8-7-15-13(17)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H2,14,18,19)
InChIKeyKJCSFNNRTCPOBU-UHFFFAOYSA-N
XLogP0.51
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide
CID 61342489
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide (CID 43582891) is 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is KJCSFNNRTCPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-20(18,19)8-7-15-13(17)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H2,14,18,19).
What are the key properties of 3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide?
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 0.51, 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-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 43582891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).