N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide

C25H25N3O3S — CID 154634960

IUPACN-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cc(C)ccc1Nc1c(NS(=O)(=O)c2ccc(C)cc2)n(C)c2ccccc12
InChIInChI=1S/C25H25N3O3S/c1-16-9-12-19(13-10-16)32(30,31)27-25-24(20-7-5-6-8-23(20)28(25)4)26-22-14-11-17(2)15-21(22)18(3)29/h5-15,26-27H,1-4H3
InChIKeyNBRRBUFSJMZFMO-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.54
Rot. Bonds6

About N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide

N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 154634960) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide
PubChem CID154634960
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cc(C)ccc1Nc1c(NS(=O)(=O)c2ccc(C)cc2)n(C)c2ccccc12
InChIInChI=1S/C25H25N3O3S/c1-16-9-12-19(13-10-16)32(30,31)27-25-24(20-7-5-6-8-23(20)28(25)4)26-22-14-11-17(2)15-21(22)18(3)29/h5-15,26-27H,1-4H3
InChIKeyNBRRBUFSJMZFMO-UHFFFAOYSA-N
XLogP5.54
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
CID 166175368
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 142745813
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide (CID 154634960) is N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide is CC(=O)c1cc(C)ccc1Nc1c(NS(=O)(=O)c2ccc(C)cc2)n(C)c2ccccc12.
What is the InChIKey of N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is NBRRBUFSJMZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-16-9-12-19(13-10-16)32(30,31)27-25-24(20-7-5-6-8-23(20)28(25)4)26-22-14-11-17(2)15-21(22)18(3)29/h5-15,26-27H,1-4H3.
What are the key properties of N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide?
N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetyl-4-methylanilino)-1-methylindol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154634960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).