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

C22H27N3O4S — CID 53056097

IUPACN,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)c1
InChIInChI=1S/C22H27N3O4S/c1-15-7-6-8-19(11-15)28-14-22-23-21(24-29-22)9-10-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-8,11-13H,9-10,14H2,1-5H3
InChIKeyUNJUGMHOZBHDMM-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.75
Rot. Bonds8

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

N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53056097) 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-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53056097
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)c1
InChIInChI=1S/C22H27N3O4S/c1-15-7-6-8-19(11-15)28-14-22-23-21(24-29-22)9-10-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-8,11-13H,9-10,14H2,1-5H3
InChIKeyUNJUGMHOZBHDMM-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-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53056097) is N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is Cc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)c1.
What is the InChIKey of N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is UNJUGMHOZBHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-7-6-8-19(11-15)28-14-22-23-21(24-29-22)9-10-25(5)30(26,27)20-13-17(3)16(2)12-18(20)4/h6-8,11-13H,9-10,14H2,1-5H3.
What are the key properties of N,2,4,5-tetramethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
N,2,4,5-tetramethyl-N-[2-[5-[(3-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-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53056097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).