N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide

C15H18F2N2O4S — CID 95781615

IUPACN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1cc(C)no1)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O4S/c1-3-13(12-6-4-5-7-14(12)22-15(16)17)19-24(20,21)9-11-8-10(2)18-23-11/h4-8,13,15,19H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyPPNSMXFNPVNZGM-ZDUSSCGKSA-N
MW360.38 g/mol
LogP3.16
Rot. Bonds8

About N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 95781615) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID95781615
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1cc(C)no1)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O4S/c1-3-13(12-6-4-5-7-14(12)22-15(16)17)19-24(20,21)9-11-8-10(2)18-23-11/h4-8,13,15,19H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyPPNSMXFNPVNZGM-ZDUSSCGKSA-N
XLogP3.16
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
CID 95775445
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95763275
2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46432566
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78868230
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide (CID 95781615) is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide is CC[C@H](NS(=O)(=O)Cc1cc(C)no1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is PPNSMXFNPVNZGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c1-3-13(12-6-4-5-7-14(12)22-15(16)17)19-24(20,21)9-11-8-10(2)18-23-11/h4-8,13,15,19H,3,9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide?
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 360.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 95781615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).