3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide

C24H23N3O4S — CID 39132073

IUPAC3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C24H23N3O4S/c1-16-10-11-19(23(28)25-2)15-21(16)26-24(29)18-7-5-8-20(14-18)32(30,31)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXPWBDUCNNCRHLO-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.36
Rot. Bonds5

About 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide

3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide (PubChem CID 39132073) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
PubChem CID39132073
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C24H23N3O4S/c1-16-10-11-19(23(28)25-2)15-21(16)26-24(29)18-7-5-8-20(14-18)32(30,31)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXPWBDUCNNCRHLO-UHFFFAOYSA-N
XLogP3.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 55711809
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide (CID 39132073) is 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide?
The InChIKey is XPWBDUCNNCRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-10-11-19(23(28)25-2)15-21(16)26-24(29)18-7-5-8-20(14-18)32(30,31)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide?
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 39132073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).