2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C23H29N3O3S — CID 24555857

IUPAC2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c(C)c1C
InChIInChI=1S/C23H29N3O3S/c1-14(2)26(13-21-24-25-23(29-21)20-11-9-8-10-12-20)30(27,28)22-18(6)16(4)15(3)17(5)19(22)7/h8-12,14H,13H2,1-7H3
InChIKeyNKEJATQAHACJPH-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.88
Rot. Bonds6

About 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 24555857) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID24555857
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c(C)c1C
InChIInChI=1S/C23H29N3O3S/c1-14(2)26(13-21-24-25-23(29-21)20-11-9-8-10-12-20)30(27,28)22-18(6)16(4)15(3)17(5)19(22)7/h8-12,14H,13H2,1-7H3
InChIKeyNKEJATQAHACJPH-UHFFFAOYSA-N
XLogP4.88
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24506519
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 17405821
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 24555857) is 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NKEJATQAHACJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-14(2)26(13-21-24-25-23(29-21)20-11-9-8-10-12-20)30(27,28)22-18(6)16(4)15(3)17(5)19(22)7/h8-12,14H,13H2,1-7H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24555857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).