5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide

C26H28N2O5S — CID 33041380

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C26H28N2O5S/c1-32-25-13-12-22(34(30,31)28-16-14-21-10-5-6-11-24(21)28)18-23(25)26(29)27-15-7-17-33-19-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,27,29)
InChIKeyWTGPIFXCDMUURB-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.78
Rot. Bonds10

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 33041380) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
PubChem CID33041380
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C26H28N2O5S/c1-32-25-13-12-22(34(30,31)28-16-14-21-10-5-6-11-24(21)28)18-23(25)26(29)27-15-7-17-33-19-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,27,29)
InChIKeyWTGPIFXCDMUURB-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.78
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

N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 41152863
(4-oxo-4-phenylbutyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 42965543
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide (CID 33041380) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is WTGPIFXCDMUURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-32-25-13-12-22(34(30,31)28-16-14-21-10-5-6-11-24(21)28)18-23(25)26(29)27-15-7-17-33-19-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,27,29).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 33041380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).