3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide

C14H18N2O5S2 — CID 71911988

IUPAC3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H18N2O5S2/c1-10-14(11(2)21-15-10)23(19,20)16-13(9-22(3,17)18)12-7-5-4-6-8-12/h4-8,13,16H,9H2,1-3H3
InChIKeySNWBGSRINJWHJE-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.36
Rot. Bonds6

About 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 71911988) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
PubChem CID71911988
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H18N2O5S2/c1-10-14(11(2)21-15-10)23(19,20)16-13(9-22(3,17)18)12-7-5-4-6-8-12/h4-8,13,16H,9H2,1-3H3
InChIKeySNWBGSRINJWHJE-UHFFFAOYSA-N
XLogP1.36
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
3,5-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 133231102
3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 100766932
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 31583328
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100730820
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide (CID 71911988) is 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(CS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is SNWBGSRINJWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c1-10-14(11(2)21-15-10)23(19,20)16-13(9-22(3,17)18)12-7-5-4-6-8-12/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 358.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71911988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).