N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C17H24N2O5S — CID 17446514

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C17H24N2O5S/c1-5-19(6-2)25(21,22)14-9-12(3)13(4)15(10-14)18-17(20)16-11-23-7-8-24-16/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyLKTIROFULFRFRH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.16
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17446514) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17446514
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2=COCCO2)c1
InChIInChI=1S/C17H24N2O5S/c1-5-19(6-2)25(21,22)14-9-12(3)13(4)15(10-14)18-17(20)16-11-23-7-8-24-16/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyLKTIROFULFRFRH-UHFFFAOYSA-N
XLogP2.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61131286
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 43049414
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27832661
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27832679
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2,3-dimethylbenzoic acid
CID 63020360
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17446514) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2=COCCO2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is LKTIROFULFRFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-5-19(6-2)25(21,22)14-9-12(3)13(4)15(10-14)18-17(20)16-11-23-7-8-24-16/h9-11H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17446514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).