2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide

C20H23N3O3S — CID 110322238

IUPAC2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)c2nnc(C)o2)c(C)c1
InChIInChI=1S/C20H23N3O3S/c1-13-10-14(2)19(15(3)11-13)27(24,25)23-18(20-22-21-16(4)26-20)12-17-8-6-5-7-9-17/h5-11,18,23H,12H2,1-4H3
InChIKeyYWGFNJMYNDKADA-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.57
Rot. Bonds6

About 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide

2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 110322238) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID110322238
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)c2nnc(C)o2)c(C)c1
InChIInChI=1S/C20H23N3O3S/c1-13-10-14(2)19(15(3)11-13)27(24,25)23-18(20-22-21-16(4)26-20)12-17-8-6-5-7-9-17/h5-11,18,23H,12H2,1-4H3
InChIKeyYWGFNJMYNDKADA-UHFFFAOYSA-N
XLogP3.57
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322240
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 101115397
2,4,6-trimethyl-N-[(2S)-1-phenylpenta-3,4-dien-2-yl]benzenesulfonamide
CID 11302281
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
CID 102155530
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710987
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide (CID 110322238) is 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)c2nnc(C)o2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is YWGFNJMYNDKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-10-14(2)19(15(3)11-13)27(24,25)23-18(20-22-21-16(4)26-20)12-17-8-6-5-7-9-17/h5-11,18,23H,12H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 110322238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).