4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide

C19H21N3O4S — CID 110643747

IUPAC4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)cc1C
InChIInChI=1S/C19H21N3O4S/c1-5-25-17-9-13(3)18(10-12(17)2)27(23,24)22-16-8-6-7-15(11-16)19-20-14(4)21-26-19/h6-11,22H,5H2,1-4H3
InChIKeyJFNBZAPWBCPABQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.86
Rot. Bonds6

About 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110643747) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110643747
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)cc1C
InChIInChI=1S/C19H21N3O4S/c1-5-25-17-9-13(3)18(10-12(17)2)27(23,24)22-16-8-6-7-15(11-16)19-20-14(4)21-26-19/h6-11,22H,5H2,1-4H3
InChIKeyJFNBZAPWBCPABQ-UHFFFAOYSA-N
XLogP3.86
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 171822694
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 110643747) is 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is JFNBZAPWBCPABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-5-25-17-9-13(3)18(10-12(17)2)27(23,24)22-16-8-6-7-15(11-16)19-20-14(4)21-26-19/h6-11,22H,5H2,1-4H3.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110643747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).