(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide

C16H24N2O4S — CID 125139107

IUPAC(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCO[C@H]2C(C)C)c1C
InChIInChI=1S/C16H24N2O4S/c1-9(2)15-13(5-6-22-15)16(19)18-14-8-12(23(17,20)21)7-10(3)11(14)4/h7-9,13,15H,5-6H2,1-4H3,(H,18,19)(H2,17,20,21)/t13-,15-/m0/s1
InChIKeyXKOPYZJXXOAHBW-ZFWWWQNUSA-N
MW340.45 g/mol
LogP1.95
Rot. Bonds4

About (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide

(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide (PubChem CID 125139107) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
PubChem CID125139107
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCO[C@H]2C(C)C)c1C
InChIInChI=1S/C16H24N2O4S/c1-9(2)15-13(5-6-22-15)16(19)18-14-8-12(23(17,20)21)7-10(3)11(14)4/h7-9,13,15H,5-6H2,1-4H3,(H,18,19)(H2,17,20,21)/t13-,15-/m0/s1
InChIKeyXKOPYZJXXOAHBW-ZFWWWQNUSA-N
XLogP1.95
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
CID 114827102
N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766850
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450
3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
CID 43684672
N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
CID 79762826
tert-butyl 4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9257484
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide (CID 125139107) is (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCO[C@H]2C(C)C)c1C.
What is the InChIKey of (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide?
The InChIKey is XKOPYZJXXOAHBW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-9(2)15-13(5-6-22-15)16(19)18-14-8-12(23(17,20)21)7-10(3)11(14)4/h7-9,13,15H,5-6H2,1-4H3,(H,18,19)(H2,17,20,21)/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide?
(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 125139107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).