2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide

C20H21FN4O5S — CID 55489616

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H21FN4O5S/c21-18-6-5-16(31(28,29)24-9-11-30-12-10-24)13-17(18)19(26)23-14-1-3-15(4-2-14)25-8-7-22-20(25)27/h1-6,13H,7-12H2,(H,22,27)(H,23,26)
InChIKeyOURAOIZFEINTMW-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.63
Rot. Bonds5

About 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide

2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide (PubChem CID 55489616) has the molecular formula C20H21FN4O5S and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
PubChem CID55489616
Molecular FormulaC20H21FN4O5S
Molecular Weight448.48 g/mol
Exact Mass448.12
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H21FN4O5S/c21-18-6-5-16(31(28,29)24-9-11-30-12-10-24)13-17(18)19(26)23-14-1-3-15(4-2-14)25-8-7-22-20(25)27/h1-6,13H,7-12H2,(H,22,27)(H,23,26)
InChIKeyOURAOIZFEINTMW-UHFFFAOYSA-N
XLogP1.63
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55826797
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
CID 31030862

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide (CID 55489616) is 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The InChIKey is OURAOIZFEINTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O5S/c21-18-6-5-16(31(28,29)24-9-11-30-12-10-24)13-17(18)19(26)23-14-1-3-15(4-2-14)25-8-7-22-20(25)27/h1-6,13H,7-12H2,(H,22,27)(H,23,26).
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55489616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).