1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide

C22H21N3O3S — CID 155964211

IUPAC1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3cccc4cccnc34)cccc21
InChIInChI=1S/C22H21N3O3S/c1-15(2)14-25-13-11-17-18(8-4-9-19(17)25)22(26)24-29(27,28)20-10-3-6-16-7-5-12-23-21(16)20/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyBARHNAMYXDRQMG-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.96
Rot. Bonds5

About 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide

1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide (PubChem CID 155964211) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide
PubChem CID155964211
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3cccc4cccnc34)cccc21
InChIInChI=1S/C22H21N3O3S/c1-15(2)14-25-13-11-17-18(8-4-9-19(17)25)22(26)24-29(27,28)20-10-3-6-16-7-5-12-23-21(16)20/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyBARHNAMYXDRQMG-UHFFFAOYSA-N
XLogP3.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
CID 90625175
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952
N-butylsulfonylquinoline-8-carboxamide
CID 102587475

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide (CID 155964211) is 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide is CC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3cccc4cccnc34)cccc21.
What is the InChIKey of 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide?
The InChIKey is BARHNAMYXDRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15(2)14-25-13-11-17-18(8-4-9-19(17)25)22(26)24-29(27,28)20-10-3-6-16-7-5-12-23-21(16)20/h3-13,15H,14H2,1-2H3,(H,24,26).
What are the key properties of 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide?
1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide is sourced from PubChem (CID 155964211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).