N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide

C19H22N2O5S — CID 46978872

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H22N2O5S/c1-21(2)27(23,24)15-9-7-14(8-10-15)26-13-19(22)20-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3,(H,20,22)
InChIKeyAOXRPPQAMUWGET-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.96
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide (PubChem CID 46978872) 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)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
PubChem CID46978872
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H22N2O5S/c1-21(2)27(23,24)15-9-7-14(8-10-15)26-13-19(22)20-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3,(H,20,22)
InChIKeyAOXRPPQAMUWGET-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 35338499
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 18193059
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4092541
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 27261642
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide (CID 46978872) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide is CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide?
The InChIKey is AOXRPPQAMUWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-21(2)27(23,24)15-9-7-14(8-10-15)26-13-19(22)20-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide has a molecular weight of 390.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 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)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 46978872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).