N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide

C17H26N2O4S — CID 31973095

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCOCC2)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-4-19(5-2)24(21,22)16-12-15(7-6-13(16)3)18-17(20)14-8-10-23-11-9-14/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyQKQKUCIDSCPYOC-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide (PubChem CID 31973095) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
PubChem CID31973095
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCOCC2)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-4-19(5-2)24(21,22)16-12-15(7-6-13(16)3)18-17(20)14-8-10-23-11-9-14/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyQKQKUCIDSCPYOC-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26708035
2-methyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906863
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46665709
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide (CID 31973095) is N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCOCC2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The InChIKey is QKQKUCIDSCPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-19(5-2)24(21,22)16-12-15(7-6-13(16)3)18-17(20)14-8-10-23-11-9-14/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide is sourced from PubChem (CID 31973095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).