2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide

C30H25FN2O3S — CID 122381441

IUPAC2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccc(F)cc23)c2ccccc2)cc1
InChIInChI=1S/C30H25FN2O3S/c1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h3-20,29H,1-2H3
InChIKeyHOBXJUHTTZEYPZ-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.18
Rot. Bonds6

About 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide

2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (PubChem CID 122381441) has the molecular formula C30H25FN2O3S and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
PubChem CID122381441
Molecular FormulaC30H25FN2O3S
Molecular Weight512.61 g/mol
Exact Mass512.16
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccc(F)cc23)c2ccccc2)cc1
InChIInChI=1S/C30H25FN2O3S/c1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h3-20,29H,1-2H3
InChIKeyHOBXJUHTTZEYPZ-UHFFFAOYSA-N
XLogP6.18
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide 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

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
Oxsi-2
CID 6419747
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
CID 23646208
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
CID 44438719
5-[1-(Benzenesulfonyl)indol-3-yl]-2-tert-butyl-1-oxo-1,2-thiazol-3-one
CID 155531183
5-[1-(Benzenesulfonyl)indol-3-yl]-2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
CID 155533590
N-(4-fluorobenzyl)-2-(1-methyl-1H-indol-3-yl)acetamide
CID 3632445
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 9929294
3-(1-Methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1-phenylsulfonylindole
CID 9950402
3-(1-Benzyl-pyrrolidin-3-yl)-1-(toluene-4-sulfonyl)-1H-indole
CID 10202995

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (CID 122381441) is 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is Cc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccc(F)cc23)c2ccccc2)cc1.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The InChIKey is HOBXJUHTTZEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O3S/c1-21-13-16-25(17-14-21)37(35,36)33(24-11-7-4-8-12-24)30(34)29(22-9-5-3-6-10-22)27-20-32(2)28-18-15-23(31)19-26(27)28/h3-20,29H,1-2H3.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide has a molecular weight of 512.61 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is sourced from PubChem (CID 122381441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).