1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide

C22H26N2O3S — CID 133235692

IUPAC1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C22H26N2O3S/c1-3-20(16-6-4-15(2)5-7-16)23-28(26,27)19-10-11-21-18(14-19)12-13-24(21)22(25)17-8-9-17/h4-7,10-11,14,17,20,23H,3,8-9,12-13H2,1-2H3
InChIKeyKQBIIJDVSUVIFV-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.72
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 133235692) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID133235692
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C22H26N2O3S/c1-3-20(16-6-4-15(2)5-7-16)23-28(26,27)19-10-11-21-18(14-19)12-13-24(21)22(25)17-8-9-17/h4-7,10-11,14,17,20,23H,3,8-9,12-13H2,1-2H3
InChIKeyKQBIIJDVSUVIFV-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321
1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
CID 100756510
1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100738258
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133191766
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100713818
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
1-(cyclopropanecarbonyl)-N-(4-methyl-4-phenylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 133160493
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133191767

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 133235692) is 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide is CCC(NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KQBIIJDVSUVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-3-20(16-6-4-15(2)5-7-16)23-28(26,27)19-10-11-21-18(14-19)12-13-24(21)22(25)17-8-9-17/h4-7,10-11,14,17,20,23H,3,8-9,12-13H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 133235692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).