1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide

C22H26N2O3S — CID 20853270

IUPAC1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-15(2)16-6-8-19(9-7-16)23-28(26,27)20-10-11-21-18(14-20)12-13-24(21)22(25)17-4-3-5-17/h6-11,14-15,17,23H,3-5,12-13H2,1-2H3
InChIKeyNVPUMHMECULQNF-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.30
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853270) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID20853270
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-15(2)16-6-8-19(9-7-16)23-28(26,27)20-10-11-21-18(14-20)12-13-24(21)22(25)17-4-3-5-17/h6-11,14-15,17,23H,3-5,12-13H2,1-2H3
InChIKeyNVPUMHMECULQNF-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100738258
1-(cyclobutanecarbonyl)-N-(2-methylcyclohexyl)-2,3-dihydroindole-5-sulfonamide
CID 20853272
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 20853270) is 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NVPUMHMECULQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15(2)16-6-8-19(9-7-16)23-28(26,27)20-10-11-21-18(14-20)12-13-24(21)22(25)17-4-3-5-17/h6-11,14-15,17,23H,3-5,12-13H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).