N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide

C17H18N4O3S — CID 37329728

IUPACN-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESC[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O3S/c1-12(16-19-20-17(24-16)13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21-25(2,22)23/h3-12,18,21H,1-2H3/t12-/m1/s1
InChIKeyJAHOQQAANYZJRN-GFCCVEGCSA-N
MW358.42 g/mol
LogP3.28
Rot. Bonds6

About N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide

N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide (PubChem CID 37329728) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
PubChem CID37329728
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESC[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O3S/c1-12(16-19-20-17(24-16)13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21-25(2,22)23/h3-12,18,21H,1-2H3/t12-/m1/s1
InChIKeyJAHOQQAANYZJRN-GFCCVEGCSA-N
XLogP3.28
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
CID 42896591
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide
CID 71991006
N-methyl-N-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 71936171
6-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-4H-1,4-benzoxazin-3-one
CID 32968497
6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308649
3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 104522209
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide (CID 37329728) is N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide is C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The InChIKey is JAHOQQAANYZJRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12(16-19-20-17(24-16)13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21-25(2,22)23/h3-12,18,21H,1-2H3/t12-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 37329728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).