N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C26H28N2O5S — CID 55675353

IUPACN-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H28N2O5S/c1-3-4-16-33-25-13-12-21(32-2)18-23(25)27-26(29)20-9-7-10-22(17-20)34(30,31)28-15-14-19-8-5-6-11-24(19)28/h5-13,17-18H,3-4,14-16H2,1-2H3,(H,27,29)
InChIKeyGGDRWNUPSTXFGZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.88
Rot. Bonds9

About N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 55675353) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID55675353
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H28N2O5S/c1-3-4-16-33-25-13-12-21(32-2)18-23(25)27-26(29)20-9-7-10-22(17-20)34(30,31)28-15-14-19-8-5-6-11-24(19)28/h5-13,17-18H,3-4,14-16H2,1-2H3,(H,27,29)
InChIKeyGGDRWNUPSTXFGZ-UHFFFAOYSA-N
XLogP4.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
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-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 29141875
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
CID 86961299

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 55675353) is N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is CCCCOc1ccc(OC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is GGDRWNUPSTXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-3-4-16-33-25-13-12-21(32-2)18-23(25)27-26(29)20-9-7-10-22(17-20)34(30,31)28-15-14-19-8-5-6-11-24(19)28/h5-13,17-18H,3-4,14-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 55675353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).