N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide

C25H26N2O4S — CID 4937060

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-18(2)17-31-22-11-7-20(8-12-22)25(28)26-21-9-13-23(14-10-21)32(29,30)27-16-15-19-5-3-4-6-24(19)27/h3-14,18H,15-17H2,1-2H3,(H,26,28)
InChIKeyVQFXOKBJWHUXIE-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.73
Rot. Bonds7

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 4937060) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID4937060
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-18(2)17-31-22-11-7-20(8-12-22)25(28)26-21-9-13-23(14-10-21)32(29,30)27-16-15-19-5-3-4-6-24(19)27/h3-14,18H,15-17H2,1-2H3,(H,26,28)
InChIKeyVQFXOKBJWHUXIE-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide (CID 4937060) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is VQFXOKBJWHUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18(2)17-31-22-11-7-20(8-12-22)25(28)26-21-9-13-23(14-10-21)32(29,30)27-16-15-19-5-3-4-6-24(19)27/h3-14,18H,15-17H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4937060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).