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

C30H26N2O3S — CID 122381443

IUPAC2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-22-17-19-25(20-18-22)36(34,35)32(24-13-7-4-8-14-24)30(33)29(23-11-5-3-6-12-23)27-21-31(2)28-16-10-9-15-26(27)28/h3-21,29H,1-2H3
InChIKeyMLFCPTBNFQHATO-UHFFFAOYSA-N
MW494.62 g/mol
LogP6.04
Rot. Bonds6

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

2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (PubChem CID 122381443) has the molecular formula C30H26N2O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
PubChem CID122381443
Molecular FormulaC30H26N2O3S
Molecular Weight494.62 g/mol
Exact Mass494.17
IUPAC Name2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-22-17-19-25(20-18-22)36(34,35)32(24-13-7-4-8-14-24)30(33)29(23-11-5-3-6-12-23)27-21-31(2)28-16-10-9-15-26(27)28/h3-21,29H,1-2H3
InChIKeyMLFCPTBNFQHATO-UHFFFAOYSA-N
XLogP6.04
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-benzenesulfonylgramine antagonist, 8
CID 11723168
2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 15511974
N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
CID 44438719
(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
CID 118712709
4-[1-(Benzenesulfonyl)indol-3-yl]benzenesulfonamide
CID 127025296
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'-[(1-benzyl-1H-indol-3-yl)methylene]benzenesulfonohydrazide
CID 6894189

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide (CID 122381443) is 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is Cc1ccc(S(=O)(=O)N(C(=O)C(c2ccccc2)c2cn(C)c3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
The InChIKey is MLFCPTBNFQHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3S/c1-22-17-19-25(20-18-22)36(34,35)32(24-13-7-4-8-14-24)30(33)29(23-11-5-3-6-12-23)27-21-31(2)28-16-10-9-15-26(27)28/h3-21,29H,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide?
2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide has a molecular weight of 494.62 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(4-methylphenyl)sulfonyl-N,2-diphenylacetamide is sourced from PubChem (CID 122381443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).