N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

C20H24N2O5S — CID 24560488

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NC2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H24N2O5S/c1-26-12-11-21-28(24,25)19-13-15(8-10-18(19)27-2)20(23)22-17-9-7-14-5-3-4-6-16(14)17/h3-6,8,10,13,17,21H,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeyZXZRXQVVDJJFQZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.04
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24560488) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24560488
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NC2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H24N2O5S/c1-26-12-11-21-28(24,25)19-13-15(8-10-18(19)27-2)20(23)22-17-9-7-14-5-3-4-6-16(14)17/h3-6,8,10,13,17,21H,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeyZXZRXQVVDJJFQZ-UHFFFAOYSA-N
XLogP2.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
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4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
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CID 30855583
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7995350
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 9327585
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (CID 24560488) is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cc(C(=O)NC2CCc3ccccc32)ccc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is ZXZRXQVVDJJFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-12-11-21-28(24,25)19-13-15(8-10-18(19)27-2)20(23)22-17-9-7-14-5-3-4-6-16(14)17/h3-6,8,10,13,17,21H,7,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24560488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).