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

C23H27N3O5S — CID 4942054

IUPAC2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C23H27N3O5S/c1-3-4-5-8-15-30-21-10-7-6-9-20(21)23(27)24-18-11-13-19(14-12-18)32(28,29)26-22-16-17(2)31-25-22/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOTWUKXHNCMVTHQ-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.00
Rot. Bonds11

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

2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 4942054) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID4942054
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C23H27N3O5S/c1-3-4-5-8-15-30-21-10-7-6-9-20(21)23(27)24-18-11-13-19(14-12-18)32(28,29)26-22-16-17(2)31-25-22/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOTWUKXHNCMVTHQ-UHFFFAOYSA-N
XLogP5.00
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782829
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
CID 19185149
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 4942054) is 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is OTWUKXHNCMVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-3-4-5-8-15-30-21-10-7-6-9-20(21)23(27)24-18-11-13-19(14-12-18)32(28,29)26-22-16-17(2)31-25-22/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4942054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).