(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide

C14H18N2O5S — CID 97489455

IUPAC(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-14(2)11(7-12(17)21-14)13(18)16-8-9-3-5-10(6-4-9)22(15,19)20/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1
InChIKeyBKAXGKBVGKOOIX-NSHDSACASA-N
MW326.37 g/mol
LogP0.29
Rot. Bonds4

About (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide

(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide (PubChem CID 97489455) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
PubChem CID97489455
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-14(2)11(7-12(17)21-14)13(18)16-8-9-3-5-10(6-4-9)22(15,19)20/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1
InChIKeyBKAXGKBVGKOOIX-NSHDSACASA-N
XLogP0.29
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210828
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 9352503
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
CID 76890368
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide (CID 97489455) is (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide is CC1(C)OC(=O)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is BKAXGKBVGKOOIX-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-14(2)11(7-12(17)21-14)13(18)16-8-9-3-5-10(6-4-9)22(15,19)20/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide?
(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 97489455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).