N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide

C16H17N3O4S — CID 671999

IUPACN-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C16H17N3O4S/c1-12-5-7-13(8-6-12)16-17-15(23-18-16)11-19(24(2,20)21)10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3
InChIKeyCDWDBQTWOQKRDS-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.60
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide

N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (PubChem CID 671999) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
PubChem CID671999
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C16H17N3O4S/c1-12-5-7-13(8-6-12)16-17-15(23-18-16)11-19(24(2,20)21)10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3
InChIKeyCDWDBQTWOQKRDS-UHFFFAOYSA-N
XLogP2.60
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
3-[furan-2-ylmethyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanenitrile
CID 86910998
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
CID 5305187
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 17078760
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 889054
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 1259410
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 55571234
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
2-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]phenol
CID 78820943
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
(2R)-1-[furan-2-ylmethyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93178462

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (CID 671999) is N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The InChIKey is CDWDBQTWOQKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-12-5-7-13(8-6-12)16-17-15(23-18-16)11-19(24(2,20)21)10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 671999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).