2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

C24H24FN3O5S — CID 4885170

IUPAC2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24FN3O5S/c1-32-22-11-10-19(16-23(22)34(30,31)28-12-14-33-15-13-28)27-24(29)20-4-2-3-5-21(20)26-18-8-6-17(25)7-9-18/h2-11,16,26H,12-15H2,1H3,(H,27,29)
InChIKeyLUEADTJUUZYQND-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4885170) has the molecular formula C24H24FN3O5S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4885170
Molecular FormulaC24H24FN3O5S
Molecular Weight485.54 g/mol
Exact Mass485.14
IUPAC Name2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24FN3O5S/c1-32-22-11-10-19(16-23(22)34(30,31)28-12-14-33-15-13-28)27-24(29)20-4-2-3-5-21(20)26-18-8-6-17(25)7-9-18/h2-11,16,26H,12-15H2,1H3,(H,27,29)
InChIKeyLUEADTJUUZYQND-UHFFFAOYSA-N
XLogP3.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755749
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4885170) is 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is LUEADTJUUZYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S/c1-32-22-11-10-19(16-23(22)34(30,31)28-12-14-33-15-13-28)27-24(29)20-4-2-3-5-21(20)26-18-8-6-17(25)7-9-18/h2-11,16,26H,12-15H2,1H3,(H,27,29).
What are the key properties of 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 485.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4885170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).