2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide

C26H37N3O4S — CID 68573916

IUPAC2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide
SMILESCc1c2c(c(CC(C)(C)CNC(=O)c3ccccc3O)c(C)c1NS(C)(=O)=O)N(C(C)C)CC2
InChIInChI=1S/C26H37N3O4S/c1-16(2)29-13-12-19-17(3)23(28-34(7,32)33)18(4)21(24(19)29)14-26(5,6)15-27-25(31)20-10-8-9-11-22(20)30/h8-11,16,28,30H,12-15H2,1-7H3,(H,27,31)
InChIKeyOEHHEPQNCDJCBW-UHFFFAOYSA-N
MW487.67 g/mol
LogP4.15
Rot. Bonds8

About 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide

2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide (PubChem CID 68573916) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide
PubChem CID68573916
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide
SMILESCc1c2c(c(CC(C)(C)CNC(=O)c3ccccc3O)c(C)c1NS(C)(=O)=O)N(C(C)C)CC2
InChIInChI=1S/C26H37N3O4S/c1-16(2)29-13-12-19-17(3)23(28-34(7,32)33)18(4)21(24(19)29)14-26(5,6)15-27-25(31)20-10-8-9-11-22(20)30/h8-11,16,28,30H,12-15H2,1-7H3,(H,27,31)
InChIKeyOEHHEPQNCDJCBW-UHFFFAOYSA-N
XLogP4.15
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide with MolForge

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Related Compounds

7-[3-[(2-hydroxybenzoyl)amino]-2,2-dimethylpropyl]-6-methyl-1-octyl-2,3-dihydroindole-5-carboxylic acid
CID 70209847
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-[2,2-dimethyl-3-(2-phenylphenyl)propyl]-2-hydroxybenzamide
CID 118471963
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 10092947
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide?
The IUPAC name of 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide (CID 68573916) is 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide is Cc1c2c(c(CC(C)(C)CNC(=O)c3ccccc3O)c(C)c1NS(C)(=O)=O)N(C(C)C)CC2.
What is the InChIKey of 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide?
The InChIKey is OEHHEPQNCDJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-16(2)29-13-12-19-17(3)23(28-34(7,32)33)18(4)21(24(19)29)14-26(5,6)15-27-25(31)20-10-8-9-11-22(20)30/h8-11,16,28,30H,12-15H2,1-7H3,(H,27,31).
What are the key properties of 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide?
2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide has a molecular weight of 487.67 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[5-(methanesulfonamido)-4,6-dimethyl-1-propan-2-yl-2,3-dihydroindol-7-yl]-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 68573916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).