3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C19H21N3O3S — CID 27644763

IUPAC3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3S/c23-19(11-13-22-26(24,25)16-6-2-1-3-7-16)20-12-10-15-14-21-18-9-5-4-8-17(15)18/h1-9,14,21-22H,10-13H2,(H,20,23)
InChIKeySTGAMWRDCKOXGG-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.20
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 27644763) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID27644763
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3S/c23-19(11-13-22-26(24,25)16-6-2-1-3-7-16)20-12-10-15-14-21-18-9-5-4-8-17(15)18/h1-9,14,21-22H,10-13H2,(H,20,23)
InChIKeySTGAMWRDCKOXGG-UHFFFAOYSA-N
XLogP2.20
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 27644763) is 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is STGAMWRDCKOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19(11-13-22-26(24,25)16-6-2-1-3-7-16)20-12-10-15-14-21-18-9-5-4-8-17(15)18/h1-9,14,21-22H,10-13H2,(H,20,23).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 27644763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).