N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C18H22N2O5S — CID 17419678

IUPACN-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1
InChIInChI=1S/C18H22N2O5S/c1-5-20(6-2)26(23,24)15-9-7-8-14(11-15)19-18(22)17-12(3)10-16(21)25-13(17)4/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyDHIVRYYOZAGCLC-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.54
Rot. Bonds6

About N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 17419678) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID17419678
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1
InChIInChI=1S/C18H22N2O5S/c1-5-20(6-2)26(23,24)15-9-7-8-14(11-15)19-18(22)17-12(3)10-16(21)25-13(17)4/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyDHIVRYYOZAGCLC-UHFFFAOYSA-N
XLogP2.54
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
CID 62856650
N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4851816

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 17419678) is N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is DHIVRYYOZAGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-5-20(6-2)26(23,24)15-9-7-8-14(11-15)19-18(22)17-12(3)10-16(21)25-13(17)4/h7-11H,5-6H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 17419678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).