N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide

C19H22N2O5S — CID 46679708

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-13-11-20-27(23,24)15-8-6-14(7-9-15)19(22)21-17-10-12-26-18-5-3-2-4-16(17)18/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyGJKODIWYXZXZBV-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.86
Rot. Bonds7

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 46679708) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID46679708
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-13-11-20-27(23,24)15-8-6-14(7-9-15)19(22)21-17-10-12-26-18-5-3-2-4-16(17)18/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyGJKODIWYXZXZBV-UHFFFAOYSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.86
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

N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
CID 51928625

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 46679708) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is GJKODIWYXZXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-13-11-20-27(23,24)15-8-6-14(7-9-15)19(22)21-17-10-12-26-18-5-3-2-4-16(17)18/h2-9,17,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 46679708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).