N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

C22H27N3O4S — CID 53056069

IUPACN,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1C
InChIInChI=1S/C22H27N3O4S/c1-15-8-6-7-9-19(15)28-14-22-23-21(24-29-22)10-11-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyPJUONISAQRSDSC-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.75
Rot. Bonds8

About N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53056069) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53056069
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1C
InChIInChI=1S/C22H27N3O4S/c1-15-8-6-7-9-19(15)28-14-22-23-21(24-29-22)10-11-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyPJUONISAQRSDSC-UHFFFAOYSA-N
XLogP3.75
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53056069) is N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1C.
What is the InChIKey of N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is PJUONISAQRSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-8-6-7-9-19(15)28-14-22-23-21(24-29-22)10-11-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetramethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53056069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).