N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide

C17H26N2O4S — CID 135106779

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c1-17(2,14-8-6-5-7-9-14)16(20)18-15-11-23-10-13(15)12-24(21,22)19(3)4/h5-9,13,15H,10-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyBRACKXBMGVSWTM-ZFWWWQNUSA-N
MW354.47 g/mol
LogP0.99
Rot. Bonds6

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide (PubChem CID 135106779) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
PubChem CID135106779
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c1-17(2,14-8-6-5-7-9-14)16(20)18-15-11-23-10-13(15)12-24(21,22)19(3)4/h5-9,13,15H,10-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyBRACKXBMGVSWTM-ZFWWWQNUSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 135095221
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
CID 135117226
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 135088303
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide
CID 135120217

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide (CID 135106779) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide?
The InChIKey is BRACKXBMGVSWTM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-17(2,14-8-6-5-7-9-14)16(20)18-15-11-23-10-13(15)12-24(21,22)19(3)4/h5-9,13,15H,10-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 135106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).