N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide

C19H20N2O3S — CID 42021517

IUPACN-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-25(23,24)16-10-8-15(9-11-16)21-19(22)12-7-14-13-20-18-6-4-3-5-17(14)18/h3-6,8-11,13,20H,2,7,12H2,1H3,(H,21,22)
InChIKeyIJCXLZSBBYYXRT-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.53
Rot. Bonds6

About N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide

N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 42021517) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID42021517
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-25(23,24)16-10-8-15(9-11-16)21-19(22)12-7-14-13-20-18-6-4-3-5-17(14)18/h3-6,8-11,13,20H,2,7,12H2,1H3,(H,21,22)
InChIKeyIJCXLZSBBYYXRT-UHFFFAOYSA-N
XLogP3.53
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
CID 4840684
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide
CID 33157700
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55463952
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide (CID 42021517) is N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide is CCS(=O)(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is IJCXLZSBBYYXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-25(23,24)16-10-8-15(9-11-16)21-19(22)12-7-14-13-20-18-6-4-3-5-17(14)18/h3-6,8-11,13,20H,2,7,12H2,1H3,(H,21,22).
What are the key properties of N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide?
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42021517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).