3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide

C24H25N3O5S2 — CID 41074519

IUPAC3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H25N3O5S2/c1-16-14-19-6-3-4-9-23(19)27(16)34(31,32)22-8-5-7-20(15-22)24(28)26-17(2)18-10-12-21(13-11-18)33(25,29)30/h3-13,15-17H,14H2,1-2H3,(H,26,28)(H2,25,29,30)/t16-,17+/m1/s1
InChIKeyOCOKVTCGVFREKP-SJORKVTESA-N
MW499.61 g/mol
LogP2.96
Rot. Bonds6

About 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide

3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 41074519) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID41074519
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H25N3O5S2/c1-16-14-19-6-3-4-9-23(19)27(16)34(31,32)22-8-5-7-20(15-22)24(28)26-17(2)18-10-12-21(13-11-18)33(25,29)30/h3-13,15-17H,14H2,1-2H3,(H,26,28)(H2,25,29,30)/t16-,17+/m1/s1
InChIKeyOCOKVTCGVFREKP-SJORKVTESA-N
XLogP2.96
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[1-(3-nitrophenyl)ethyl]benzamide
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CID 6596823
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3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]benzamide
CID 2315639
N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 55363980
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 46512935
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 41074519) is 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is OCOKVTCGVFREKP-SJORKVTESA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-16-14-19-6-3-4-9-23(19)27(16)34(31,32)22-8-5-7-20(15-22)24(28)26-17(2)18-10-12-21(13-11-18)33(25,29)30/h3-13,15-17H,14H2,1-2H3,(H,26,28)(H2,25,29,30)/t16-,17+/m1/s1.
What are the key properties of 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 499.61 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 41074519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).