(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide

C16H22N2O3S — CID 97065841

IUPAC(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
SMILESCc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3/t11-,13-/m1/s1
InChIKeyFGUNZDJOTKICHF-DGCLKSJQSA-N
MW322.43 g/mol
LogP3.08
Rot. Bonds6

About (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide

(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide (PubChem CID 97065841) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
PubChem CID97065841
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
SMILESCc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3/t11-,13-/m1/s1
InChIKeyFGUNZDJOTKICHF-DGCLKSJQSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-Dimethyl-isoxazol-5-yl)-2-isopropyl-benzenesulfonamide
CID 10803738
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,3,5-trimethylisoxazole-4-sulfonamide
CID 51346970
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethyl-3,5-dimethylisoxazole-4-sulfonamide
CID 53321486
3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 53323476
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-3,5-dimethyl-N-(4,4,4-trifluorobutyl)isoxazole-4-sulfonamide
CID 53325447
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738169
3,5-Dimethyl-N-[4-(propan-2-YL)phenyl]-1,2-oxazole-4-sulfonamide
CID 7400945
N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 20851638
3,5-dimethyl-N-1,2,3,4-tetrahydronaphthalen-1-ylisoxazole-4-sulfonamide
CID 2812750
4-Benzyl-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine
CID 3236593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide (CID 97065841) is (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide is Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is FGUNZDJOTKICHF-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 97065841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).