N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide

C15H22N2O4S — CID 34685373

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CC[C@@H]2CCCO2)c1
InChIInChI=1S/C15H22N2O4S/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyIMRGUZILDOKLBF-ZDUSSCGKSA-N
MW326.42 g/mol
LogP1.17
Rot. Bonds7

About N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide

N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 34685373) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID34685373
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CC[C@@H]2CCCO2)c1
InChIInChI=1S/C15H22N2O4S/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyIMRGUZILDOKLBF-ZDUSSCGKSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38330248
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (CID 34685373) is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is CNS(=O)(=O)c1cccc(CNC(=O)CC[C@@H]2CCCO2)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is IMRGUZILDOKLBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 34685373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).