4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

C16H17N3O4S2 — CID 110322399

IUPAC4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2nnc(-c3cccs3)o2)c(C)c1
InChIInChI=1S/C16H17N3O4S2/c1-10-7-12(22-3)8-11(2)15(10)25(20,21)17-9-14-18-19-16(23-14)13-5-4-6-24-13/h4-8,17H,9H2,1-3H3
InChIKeyDDAWWRXMKZNEGW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.90
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110322399) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110322399
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2nnc(-c3cccs3)o2)c(C)c1
InChIInChI=1S/C16H17N3O4S2/c1-10-7-12(22-3)8-11(2)15(10)25(20,21)17-9-14-18-19-16(23-14)13-5-4-6-24-13/h4-8,17H,9H2,1-3H3
InChIKeyDDAWWRXMKZNEGW-UHFFFAOYSA-N
XLogP2.90
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110320059
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110322375
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110322438
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110322399) is 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2nnc(-c3cccs3)o2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is DDAWWRXMKZNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-10-7-12(22-3)8-11(2)15(10)25(20,21)17-9-14-18-19-16(23-14)13-5-4-6-24-13/h4-8,17H,9H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110322399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).