N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide

C20H24N2O4S — CID 15319326

IUPACN-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
SMILESCOC[C@@H]1N=C([C@H](C)CNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(13-21-27(23,24)17-11-7-4-8-12-17)20-22-18(14-25-2)19(26-20)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3/t15-,18+,19+/m1/s1
InChIKeyWYJKSDIZFQDGKT-MNEFBYGVSA-N
MW388.49 g/mol
LogP2.79
Rot. Bonds8

About N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide

N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide (PubChem CID 15319326) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
PubChem CID15319326
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
SMILESCOC[C@@H]1N=C([C@H](C)CNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(13-21-27(23,24)17-11-7-4-8-12-17)20-22-18(14-25-2)19(26-20)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3/t15-,18+,19+/m1/s1
InChIKeyWYJKSDIZFQDGKT-MNEFBYGVSA-N
XLogP2.79
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
CID 58821622
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
N-(2-methylheptyl)benzenesulfonamide
CID 143260336
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide (CID 15319326) is N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide is COC[C@@H]1N=C([C@H](C)CNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The InChIKey is WYJKSDIZFQDGKT-MNEFBYGVSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(13-21-27(23,24)17-11-7-4-8-12-17)20-22-18(14-25-2)19(26-20)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3/t15-,18+,19+/m1/s1.
What are the key properties of N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 15319326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).