N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide

C18H18N2O4S — CID 44513710

IUPACN-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C18H18N2O4S/c1-20(13-14-6-4-3-5-7-14)25(21,22)18-12-17(19-24-18)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeySMYPZHRFQXQAHW-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.17
Rot. Bonds6

About N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide

N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide (PubChem CID 44513710) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide
PubChem CID44513710
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C18H18N2O4S/c1-20(13-14-6-4-3-5-7-14)25(21,22)18-12-17(19-24-18)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeySMYPZHRFQXQAHW-UHFFFAOYSA-N
XLogP3.17
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide (CID 44513710) is N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide is COc1ccc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)on2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide?
The InChIKey is SMYPZHRFQXQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20(13-14-6-4-3-5-7-14)25(21,22)18-12-17(19-24-18)15-8-10-16(23-2)11-9-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide?
N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 44513710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).