N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide

C22H24N2O4S — CID 142745813

IUPACN-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cn(C(=O)C(C)(C)C)c2c(NS(=O)(=O)c3ccc(C)cc3)cccc12
InChIInChI=1S/C22H24N2O4S/c1-14-9-11-16(12-10-14)29(27,28)23-19-8-6-7-17-18(15(2)25)13-24(20(17)19)21(26)22(3,4)5/h6-13,23H,1-5H3
InChIKeyXZXMAUZJQDADMW-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.64
Rot. Bonds4

About N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide

N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide (PubChem CID 142745813) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
PubChem CID142745813
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cn(C(=O)C(C)(C)C)c2c(NS(=O)(=O)c3ccc(C)cc3)cccc12
InChIInChI=1S/C22H24N2O4S/c1-14-9-11-16(12-10-14)29(27,28)23-19-8-6-7-17-18(15(2)25)13-24(20(17)19)21(26)22(3,4)5/h6-13,23H,1-5H3
InChIKeyXZXMAUZJQDADMW-UHFFFAOYSA-N
XLogP4.64
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(2,2-dimethylpropanoyl)-7-[(4-methylphenyl)sulfonylamino]indol-3-yl]acetate
CID 132528762
N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide
CID 132528756
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
N-[5-bromo-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 132528764
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
CID 142745815
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide
CID 142745825
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
tert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrole-1-carboxylate
CID 56839230
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide (CID 142745813) is N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide is CC(=O)c1cn(C(=O)C(C)(C)C)c2c(NS(=O)(=O)c3ccc(C)cc3)cccc12.
What is the InChIKey of N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide?
The InChIKey is XZXMAUZJQDADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-9-11-16(12-10-14)29(27,28)23-19-8-6-7-17-18(15(2)25)13-24(20(17)19)21(26)22(3,4)5/h6-13,23H,1-5H3.
What are the key properties of N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide?
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide has a molecular weight of 412.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).