N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide

C15H22N2O3S — CID 51098284

IUPACN-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)4-7-15(18)17-9-8-12-10-13(5-6-14(12)17)21(19,20)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyBPDBPKFJHUBAHK-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide

N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 51098284) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID51098284
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)4-7-15(18)17-9-8-12-10-13(5-6-14(12)17)21(19,20)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyBPDBPKFJHUBAHK-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 51130845
N-methyl-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 60612946
N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 60612735
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3453924
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(2-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53057581

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide (CID 51098284) is N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(C)C.
What is the InChIKey of N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BPDBPKFJHUBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)4-7-15(18)17-9-8-12-10-13(5-6-14(12)17)21(19,20)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide?
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51098284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).