4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

C22H25N3O6S — CID 2112279

IUPAC4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC
InChIInChI=1S/C22H25N3O6S/c1-4-5-12-30-19-11-6-16(14-20(19)29-3)22(26)23-17-7-9-18(10-8-17)32(27,28)25-21-13-15(2)31-24-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyDAOSPTHHWGHWQW-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.22
Rot. Bonds10

About 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 2112279) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID2112279
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC
InChIInChI=1S/C22H25N3O6S/c1-4-5-12-30-19-11-6-16(14-20(19)29-3)22(26)23-17-7-9-18(10-8-17)32(27,28)25-21-13-15(2)31-24-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyDAOSPTHHWGHWQW-UHFFFAOYSA-N
XLogP4.22
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 2112279) is 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is DAOSPTHHWGHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-4-5-12-30-19-11-6-16(14-20(19)29-3)22(26)23-17-7-9-18(10-8-17)32(27,28)25-21-13-15(2)31-24-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2112279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).