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

C19H22N2O4S — CID 15319315

IUPACN-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide
SMILESCOC[C@@H]1N=C(CCNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-24-14-17-19(15-8-4-2-5-9-15)25-18(21-17)12-13-20-26(22,23)16-10-6-3-7-11-16/h2-11,17,19-20H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyLHHNNLGMACSWNH-HKUYNNGSSA-N
MW374.46 g/mol
LogP2.54
Rot. Bonds8

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

N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 15319315) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide
PubChem CID15319315
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide
SMILESCOC[C@@H]1N=C(CCNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-24-14-17-19(15-8-4-2-5-9-15)25-18(21-17)12-13-20-26(22,23)16-10-6-3-7-11-16/h2-11,17,19-20H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyLHHNNLGMACSWNH-HKUYNNGSSA-N
XLogP2.54
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-Methylphenyl)sulfonylamino]-1-phenylethyl] acetate
CID 3119015
N-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]benzenesulfonamide
CID 58661845
4-[4-Cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide
CID 59123677
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzenesulfonamide
CID 90088039
N-cyclopropyl-4-[(1R,2S)-3-fluoro-1-methoxy-2-(methylideneamino)propyl]benzenesulfonamide
CID 149488565
4-[(1R,2S)-3-fluoro-1-methoxy-2-(methylideneamino)propyl]-N-methylbenzenesulfonamide
CID 160151467
4-[(Z)-but-1-enyl]benzenesulfonamide;4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide;ethane
CID 160482389
N-[(E,3S)-3-hydroxy-4-methyl-1-phenylmethoxyhex-4-en-2-yl]-4-methylbenzenesulfonamide
CID 11969637
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-
CID 13793578
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonamide
CID 16091375
[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 4-methylbenzenesulfonate
CID 101363103
N-[(3S,4R)-1-hydroxy-4-phenylmethoxyhexan-3-yl]-4-methylbenzenesulfonamide
CID 101417563

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide (CID 15319315) is N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide is COC[C@@H]1N=C(CCNS(=O)(=O)c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is LHHNNLGMACSWNH-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-24-14-17-19(15-8-4-2-5-9-15)25-18(21-17)12-13-20-26(22,23)16-10-6-3-7-11-16/h2-11,17,19-20H,12-14H2,1H3/t17-,19-/m0/s1.
What are the key properties of N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide?
N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 15319315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).