(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide

C13H18N2O4S — CID 8961578

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(17,18)11-6-3-5-10(9-11)14-13(16)12-7-4-8-19-12/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeySKAWMRJITCQDJR-LBPRGKRZSA-N
MW298.36 g/mol
LogP1.05
Rot. Bonds4

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 8961578) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
PubChem CID8961578
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(17,18)11-6-3-5-10(9-11)14-13(16)12-7-4-8-19-12/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeySKAWMRJITCQDJR-LBPRGKRZSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
CID 52872489

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide (CID 8961578) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is SKAWMRJITCQDJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(2)20(17,18)11-6-3-5-10(9-11)14-13(16)12-7-4-8-19-12/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 8961578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).