N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide

C15H20N2O5S — CID 95763275

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2cc(C)no2)c1
InChIInChI=1S/C15H20N2O5S/c1-10-7-13(22-16-10)9-23(18,19)17-11(2)14-8-12(20-3)5-6-15(14)21-4/h5-8,11,17H,9H2,1-4H3/t11-/m0/s1
InChIKeyLKKQEGBKCHMDTN-NSHDSACASA-N
MW340.40 g/mol
LogP2.18
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 95763275) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID95763275
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2cc(C)no2)c1
InChIInChI=1S/C15H20N2O5S/c1-10-7-13(22-16-10)9-23(18,19)17-11(2)14-8-12(20-3)5-6-15(14)21-4/h5-8,11,17H,9H2,1-4H3/t11-/m0/s1
InChIKeyLKKQEGBKCHMDTN-NSHDSACASA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide with MolForge

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Related Compounds

1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646385
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95781615
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide (CID 95763275) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide is COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2cc(C)no2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is LKKQEGBKCHMDTN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-7-13(22-16-10)9-23(18,19)17-11(2)14-8-12(20-3)5-6-15(14)21-4/h5-8,11,17H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 95763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).