(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide

C15H22N2O4S — CID 94824302

IUPAC(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)17-22(19,20)13-6-4-5-12(9-13)16-14(18)11-7-8-21-10-11/h4-6,9,11,17H,7-8,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyDSAKQMHXQMPVIE-LLVKDONJSA-N
MW326.42 g/mol
LogP1.74
Rot. Bonds4

About (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide

(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide (PubChem CID 94824302) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
PubChem CID94824302
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)17-22(19,20)13-6-4-5-12(9-13)16-14(18)11-7-8-21-10-11/h4-6,9,11,17H,7-8,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyDSAKQMHXQMPVIE-LLVKDONJSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772
3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 119688782
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 39932989
N-[3-(tert-butylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270871
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide (CID 94824302) is (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1.
What is the InChIKey of (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide?
The InChIKey is DSAKQMHXQMPVIE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)17-22(19,20)13-6-4-5-12(9-13)16-14(18)11-7-8-21-10-11/h4-6,9,11,17H,7-8,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide?
(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 94824302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).