N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

C17H18N2O4S — CID 46292528

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C
InChIInChI=1S/C17H18N2O4S/c1-4-19(14-7-5-6-12(2)10-14)24(20,21)17-11-16(22-13(17)3)15-8-9-18-23-15/h5-11H,4H2,1-3H3
InChIKeyUCFLWAHJQJFKIT-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (PubChem CID 46292528) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
PubChem CID46292528
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C
InChIInChI=1S/C17H18N2O4S/c1-4-19(14-7-5-6-12(2)10-14)24(20,21)17-11-16(22-13(17)3)15-8-9-18-23-15/h5-11H,4H2,1-3H3
InChIKeyUCFLWAHJQJFKIT-UHFFFAOYSA-N
XLogP3.77
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (CID 46292528) is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The InChIKey is UCFLWAHJQJFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-19(14-7-5-6-12(2)10-14)24(20,21)17-11-16(22-13(17)3)15-8-9-18-23-15/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 46292528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).