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

C14H18N2O4S — CID 110660446

IUPAC2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C14H18N2O4S/c1-9-5-12(19-4)13(6-10(9)2)21(17,18)16-8-14-15-7-11(3)20-14/h5-7,16H,8H2,1-4H3
InChIKeyINNQOWASHLROIZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.09
Rot. Bonds5

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

2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110660446) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID110660446
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C14H18N2O4S/c1-9-5-12(19-4)13(6-10(9)2)21(17,18)16-8-14-15-7-11(3)20-14/h5-7,16H,8H2,1-4H3
InChIKeyINNQOWASHLROIZ-UHFFFAOYSA-N
XLogP2.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660663
4-(hydroxymethyl)-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377906
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90536200
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318910
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 110660446) is 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCc1ncc(C)o1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is INNQOWASHLROIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9-5-12(19-4)13(6-10(9)2)21(17,18)16-8-14-15-7-11(3)20-14/h5-7,16H,8H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110660446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).