3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide

C19H22N2O3S — CID 109062095

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H22N2O3S/c1-3-11-20-19(22)16-8-6-9-17(13-16)25(23,24)21-14(2)12-15-7-4-5-10-18(15)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyPIUQASBFUGLCIR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.97
Rot. Bonds5

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide (PubChem CID 109062095) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
PubChem CID109062095
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H22N2O3S/c1-3-11-20-19(22)16-8-6-9-17(13-16)25(23,24)21-14(2)12-15-7-4-5-10-18(15)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyPIUQASBFUGLCIR-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
CID 4175707
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 6596823
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2334440
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 92670690
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55697733
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide (CID 109062095) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide is CCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide?
The InChIKey is PIUQASBFUGLCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-11-20-19(22)16-8-6-9-17(13-16)25(23,24)21-14(2)12-15-7-4-5-10-18(15)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide is sourced from PubChem (CID 109062095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).