N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide

C20H20N2O6S2 — CID 71592939

IUPACN-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(-c2cc3cc(C(C)=O)ccc3n2S(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O6S2/c1-12(23)14-6-8-19-16(9-14)11-20(22(19)30(4,27)28)17-10-15(13(2)24)5-7-18(17)21-29(3,25)26/h5-11,21H,1-4H3
InChIKeyQNBNOCPZCJSGKN-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.89
Rot. Bonds6

About N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide

N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 71592939) has the molecular formula C20H20N2O6S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide
PubChem CID71592939
Molecular FormulaC20H20N2O6S2
Molecular Weight448.52 g/mol
Exact Mass448.08
IUPAC NameN-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(-c2cc3cc(C(C)=O)ccc3n2S(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O6S2/c1-12(23)14-6-8-19-16(9-14)11-20(22(19)30(4,27)28)17-10-15(13(2)24)5-7-18(17)21-29(3,25)26/h5-11,21H,1-4H3
InChIKeyQNBNOCPZCJSGKN-UHFFFAOYSA-N
XLogP2.89
TPSA119.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide 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

1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 607984
3-((Acetyl-Methyl-Amino)-Methyl)-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide
CID 447018
2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid diethylamide
CID 18914272
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-di(propan-2-yl)-1H-indole-5-carboxamide
CID 44292977
2,3-dimethyl-4-(3-(vinylsulfonamido)phenyl)-1H-indole-7-carboxamide
CID 121293857
4-[3-(ethenylsulfonylamino)-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294143
Cblc137
CID 44519123
3,6-Diacetyl-9-ethylcarbazole
CID 622083
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-bis(2-methylpropyl)-1H-indole-5-carboxamide
CID 10258643
N-tert-butyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indole-5-carboxamide
CID 44292874
N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide
CID 44292988

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide (CID 71592939) is N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(-c2cc3cc(C(C)=O)ccc3n2S(C)(=O)=O)c1.
What is the InChIKey of N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is QNBNOCPZCJSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S2/c1-12(23)14-6-8-19-16(9-14)11-20(22(19)30(4,27)28)17-10-15(13(2)24)5-7-18(17)21-29(3,25)26/h5-11,21H,1-4H3.
What are the key properties of N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide?
N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 448.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(5-acetyl-1-methylsulfonylindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 71592939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).