3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide

C22H18F3N5O3S — CID 33157700

IUPAC3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H18F3N5O3S/c23-22(24,25)19-11-12-26-21(29-19)30-34(32,33)16-8-6-15(7-9-16)28-20(31)10-5-14-13-27-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,27H,5,10H2,(H,28,31)(H,26,29,30)
InChIKeyWCUCQIWOOBJLMJ-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.35
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide (PubChem CID 33157700) has the molecular formula C22H18F3N5O3S and a molecular weight of 489.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide
PubChem CID33157700
Molecular FormulaC22H18F3N5O3S
Molecular Weight489.48 g/mol
Exact Mass489.11
IUPAC Name3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H18F3N5O3S/c23-22(24,25)19-11-12-26-21(29-19)30-34(32,33)16-8-6-15(7-9-16)28-20(31)10-5-14-13-27-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,27H,5,10H2,(H,28,31)(H,26,29,30)
InChIKeyWCUCQIWOOBJLMJ-UHFFFAOYSA-N
XLogP4.35
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]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

N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26856264
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
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-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
CID 4840684
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55463952
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide (CID 33157700) is 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide?
The InChIKey is WCUCQIWOOBJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3S/c23-22(24,25)19-11-12-26-21(29-19)30-34(32,33)16-8-6-15(7-9-16)28-20(31)10-5-14-13-27-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,27H,5,10H2,(H,28,31)(H,26,29,30).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide has a molecular weight of 489.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 33157700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).