N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide

C15H22N4O3S — CID 71991006

IUPACN-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide
SMILESCC(C)Cc1nnc(C(C)Nc2ccc(NS(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H22N4O3S/c1-10(2)9-14-17-18-15(22-14)11(3)16-12-5-7-13(8-6-12)19-23(4,20)21/h5-8,10-11,16,19H,9H2,1-4H3
InChIKeySKIKDWXWSKOCMI-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.81
Rot. Bonds7

About N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide

N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide (PubChem CID 71991006) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide
PubChem CID71991006
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide
SMILESCC(C)Cc1nnc(C(C)Nc2ccc(NS(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H22N4O3S/c1-10(2)9-14-17-18-15(22-14)11(3)16-12-5-7-13(8-6-12)19-23(4,20)21/h5-8,10-11,16,19H,9H2,1-4H3
InChIKeySKIKDWXWSKOCMI-UHFFFAOYSA-N
XLogP2.81
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one
CID 71990918
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
CID 43725216
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
CID 103388606
N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 97338678
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
2-(1-chloroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 16768352
N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide
CID 75517284
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide (CID 71991006) is N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide is CC(C)Cc1nnc(C(C)Nc2ccc(NS(C)(=O)=O)cc2)o1.
What is the InChIKey of N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide?
The InChIKey is SKIKDWXWSKOCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-10(2)9-14-17-18-15(22-14)11(3)16-12-5-7-13(8-6-12)19-23(4,20)21/h5-8,10-11,16,19H,9H2,1-4H3.
What are the key properties of N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide?
N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 71991006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).