4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

C24H23N3O5S — CID 46401839

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)cc1
InChIInChI=1S/C24H23N3O5S/c1-15(2)24-26-21-14-18(8-13-22(21)32-24)25-23(28)16-4-11-20(12-5-16)33(29,30)27-17-6-9-19(31-3)10-7-17/h4-15,27H,1-3H3,(H,25,28)
InChIKeyBECRNKSLJDWWEP-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.01
Rot. Bonds7

About 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 46401839) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID46401839
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)cc1
InChIInChI=1S/C24H23N3O5S/c1-15(2)24-26-21-14-18(8-13-22(21)32-24)25-23(28)16-4-11-20(12-5-16)33(29,30)27-17-6-9-19(31-3)10-7-17/h4-15,27H,1-3H3,(H,25,28)
InChIKeyBECRNKSLJDWWEP-UHFFFAOYSA-N
XLogP5.01
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 46401839) is 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is BECRNKSLJDWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-15(2)24-26-21-14-18(8-13-22(21)32-24)25-23(28)16-4-11-20(12-5-16)33(29,30)27-17-6-9-19(31-3)10-7-17/h4-15,27H,1-3H3,(H,25,28).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 465.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 46401839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).