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

C24H24N2O5S — CID 2349220

IUPACN-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1
InChIInChI=1S/C24H24N2O5S/c1-16-13-17-7-4-5-10-22(17)26(16)32(28,29)20-9-6-8-18(14-20)24(27)25-21-15-19(30-2)11-12-23(21)31-3/h4-12,14-16H,13H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyHNNMFWYHGQNUOH-INIZCTEOSA-N
MW452.53 g/mol
LogP4.10
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 2349220) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID2349220
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1
InChIInChI=1S/C24H24N2O5S/c1-16-13-17-7-4-5-10-22(17)26(16)32(28,29)20-9-6-8-18(14-20)24(27)25-21-15-19(30-2)11-12-23(21)31-3/h4-12,14-16H,13H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyHNNMFWYHGQNUOH-INIZCTEOSA-N
XLogP4.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2344804
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 98391352
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 46626026
(4-methoxyphenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 16578218
N-(2,5-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178330
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
CID 75852609
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 2349220) is N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is HNNMFWYHGQNUOH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-13-17-7-4-5-10-22(17)26(16)32(28,29)20-9-6-8-18(14-20)24(27)25-21-15-19(30-2)11-12-23(21)31-3/h4-12,14-16H,13H2,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 2349220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).