N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide

C14H20N2O4S — CID 114827102

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2COC(C)C2)c1C
InChIInChI=1S/C14H20N2O4S/c1-8-4-12(21(15,18)19)6-13(10(8)3)16-14(17)11-5-9(2)20-7-11/h4,6,9,11H,5,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyJRNLDVJBWFJASE-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide (PubChem CID 114827102) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
PubChem CID114827102
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2COC(C)C2)c1C
InChIInChI=1S/C14H20N2O4S/c1-8-4-12(21(15,18)19)6-13(10(8)3)16-14(17)11-5-9(2)20-7-11/h4,6,9,11H,5,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyJRNLDVJBWFJASE-UHFFFAOYSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766850
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
CID 125139107
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450
tert-butyl 4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9257484
3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
CID 43684672
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(6-amino-1,3-benzodioxol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824227
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
5-methyl-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824330
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 114824661
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide (CID 114827102) is N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2COC(C)C2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide?
The InChIKey is JRNLDVJBWFJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-4-12(21(15,18)19)6-13(10(8)3)16-14(17)11-5-9(2)20-7-11/h4,6,9,11H,5,7H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114827102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).