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

C20H22N2O3S — CID 47093279

IUPAC4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-15(2)16-9-11-19(12-10-16)26(23,24)21-14-18-13-20(25-22-18)17-7-5-4-6-8-17/h4-13,15,21H,3,14H2,1-2H3
InChIKeyMUDMAGDMSGKLIM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.33
Rot. Bonds7

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

4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (PubChem CID 47093279) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
PubChem CID47093279
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-15(2)16-9-11-19(12-10-16)26(23,24)21-14-18-13-20(25-22-18)17-7-5-4-6-8-17/h4-13,15,21H,3,14H2,1-2H3
InChIKeyMUDMAGDMSGKLIM-UHFFFAOYSA-N
XLogP4.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (CID 47093279) is 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is MUDMAGDMSGKLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-15(2)16-9-11-19(12-10-16)26(23,24)21-14-18-13-20(25-22-18)17-7-5-4-6-8-17/h4-13,15,21H,3,14H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47093279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).