N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H20N2O5S — CID 90598090

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1c(C)noc1C)OC
InChIInChI=1S/C15H20N2O5S/c1-10-15(11(2)22-17-10)23(18,19)16-9-14(21-4)12-7-5-6-8-13(12)20-3/h5-8,14,16H,9H2,1-4H3
InChIKeyMLVNFTYIWHOFBC-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.97
Rot. Bonds7

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 90598090) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID90598090
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1c(C)noc1C)OC
InChIInChI=1S/C15H20N2O5S/c1-10-15(11(2)22-17-10)23(18,19)16-9-14(21-4)12-7-5-6-8-13(12)20-3/h5-8,14,16H,9H2,1-4H3
InChIKeyMLVNFTYIWHOFBC-UHFFFAOYSA-N
XLogP1.97
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100729356
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
CID 110616077
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 90598090) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccccc1C(CNS(=O)(=O)c1c(C)noc1C)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MLVNFTYIWHOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-15(11(2)22-17-10)23(18,19)16-9-14(21-4)12-7-5-6-8-13(12)20-3/h5-8,14,16H,9H2,1-4H3.
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 90598090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).