1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide

C13H17N3O5S2 — CID 9186143

IUPAC1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@@H](C)c2nnc(S(C)(=O)=O)o2)c1
InChIInChI=1S/C13H17N3O5S2/c1-9-5-4-6-11(7-9)8-23(19,20)16-10(2)12-14-15-13(21-12)22(3,17)18/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1
InChIKeyMKUFROUSZUIKSU-JTQLQIEISA-N
MW359.43 g/mol
LogP0.96
Rot. Bonds6

About 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide

1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 9186143) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
PubChem CID9186143
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC Name1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@@H](C)c2nnc(S(C)(=O)=O)o2)c1
InChIInChI=1S/C13H17N3O5S2/c1-9-5-4-6-11(7-9)8-23(19,20)16-10(2)12-14-15-13(21-12)22(3,17)18/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1
InChIKeyMKUFROUSZUIKSU-JTQLQIEISA-N
XLogP0.96
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide with MolForge

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Related Compounds

1-(2-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186133
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 133230316
1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide
CID 127266838
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 9186119
tert-butyl N-[(1S,2S)-2-methyl-1-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate
CID 51436273
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
CID 9187183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (CID 9186143) is 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)N[C@@H](C)c2nnc(S(C)(=O)=O)o2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is MKUFROUSZUIKSU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-9-5-4-6-11(7-9)8-23(19,20)16-10(2)12-14-15-13(21-12)22(3,17)18/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 9186143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).