N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C24H22N2O5S — CID 2334440

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H22N2O5S/c1-16-11-18-5-2-3-8-21(18)26(16)32(28,29)20-7-4-6-19(13-20)24(27)25-14-17-9-10-22-23(12-17)31-15-30-22/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyRKTQMHNYRGODQY-INIZCTEOSA-N
MW450.52 g/mol
LogP3.49
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 2334440) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID2334440
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H22N2O5S/c1-16-11-18-5-2-3-8-21(18)26(16)32(28,29)20-7-4-6-19(13-20)24(27)25-14-17-9-10-22-23(12-17)31-15-30-22/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyRKTQMHNYRGODQY-INIZCTEOSA-N
XLogP3.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
CID 4175707
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CID 55455151
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55697733
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
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CID 2082413
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
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
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(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 2334440) is N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is RKTQMHNYRGODQY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-16-11-18-5-2-3-8-21(18)26(16)32(28,29)20-7-4-6-19(13-20)24(27)25-14-17-9-10-22-23(12-17)31-15-30-22/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27)/t16-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 2334440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).