N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

C23H20FN3O4S — CID 55957721

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)ccc2o1
InChIInChI=1S/C23H20FN3O4S/c1-3-22-26-20-13-17(8-11-21(20)31-22)25-23(28)15-4-6-16(7-5-15)27-32(29,30)18-9-10-19(24)14(2)12-18/h4-13,27H,3H2,1-2H3,(H,25,28)
InChIKeyUXDNSISDRAXRJI-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.89
Rot. Bonds6

About N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (PubChem CID 55957721) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
PubChem CID55957721
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)ccc2o1
InChIInChI=1S/C23H20FN3O4S/c1-3-22-26-20-13-17(8-11-21(20)31-22)25-23(28)15-4-6-16(7-5-15)27-32(29,30)18-9-10-19(24)14(2)12-18/h4-13,27H,3H2,1-2H3,(H,25,28)
InChIKeyUXDNSISDRAXRJI-UHFFFAOYSA-N
XLogP4.89
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (CID 55957721) is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is CCc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UXDNSISDRAXRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-3-22-26-20-13-17(8-11-21(20)31-22)25-23(28)15-4-6-16(7-5-15)27-32(29,30)18-9-10-19(24)14(2)12-18/h4-13,27H,3H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide has a molecular weight of 453.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55957721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).