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

C17H18N4O4S — CID 110318910

IUPAC2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H18N4O4S/c1-11-8-14(24-3)15(9-12(11)2)26(22,23)19-10-16-20-21-17(25-16)13-4-6-18-7-5-13/h4-9,19H,10H2,1-3H3
InChIKeyVIRPAQAOMAJNDY-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.24
Rot. Bonds6

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

2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318910) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318910
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H18N4O4S/c1-11-8-14(24-3)15(9-12(11)2)26(22,23)19-10-16-20-21-17(25-16)13-4-6-18-7-5-13/h4-9,19H,10H2,1-3H3
InChIKeyVIRPAQAOMAJNDY-UHFFFAOYSA-N
XLogP2.24
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320894
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318618
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318833
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110321135

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110318910) is 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is VIRPAQAOMAJNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11-8-14(24-3)15(9-12(11)2)26(22,23)19-10-16-20-21-17(25-16)13-4-6-18-7-5-13/h4-9,19H,10H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).