N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C25H22FN3O5S — CID 55955505

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C25H22FN3O5S/c1-3-35(31,32)29-21-13-12-16(14-22(21)33-2)28-24(30)17-8-4-5-9-18(17)25-27-15-23(34-25)19-10-6-7-11-20(19)26/h4-15,29H,3H2,1-2H3,(H,28,30)
InChIKeyTUZXGCCIOMZGGY-UHFFFAOYSA-N
MW495.53 g/mol
LogP5.17
Rot. Bonds8

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 55955505) has the molecular formula C25H22FN3O5S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID55955505
Molecular FormulaC25H22FN3O5S
Molecular Weight495.53 g/mol
Exact Mass495.13
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C25H22FN3O5S/c1-3-35(31,32)29-21-13-12-16(14-22(21)33-2)28-24(30)17-8-4-5-9-18(17)25-27-15-23(34-25)19-10-6-7-11-20(19)26/h4-15,29H,3H2,1-2H3,(H,28,30)
InChIKeyTUZXGCCIOMZGGY-UHFFFAOYSA-N
XLogP5.17
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36753836
N-(2-fluoro-4-methylphenyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55554036
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 24659708
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 154833789
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683287
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36806197
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 55955505) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is TUZXGCCIOMZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S/c1-3-35(31,32)29-21-13-12-16(14-22(21)33-2)28-24(30)17-8-4-5-9-18(17)25-27-15-23(34-25)19-10-6-7-11-20(19)26/h4-15,29H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 495.53 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 55955505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).