N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C21H24FN3O5S — CID 41022421

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C21H24FN3O5S/c1-25(14-20(26)24-17-7-3-6-16(22)12-17)21(27)15-5-2-9-19(11-15)31(28,29)23-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,23H,4,8,10,13-14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyKPJPWCIQPXQUQS-SFHVURJKSA-N
MW449.50 g/mol
LogP1.99
Rot. Bonds8

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 41022421) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID41022421
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C21H24FN3O5S/c1-25(14-20(26)24-17-7-3-6-16(22)12-17)21(27)15-5-2-9-19(11-15)31(28,29)23-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,23H,4,8,10,13-14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyKPJPWCIQPXQUQS-SFHVURJKSA-N
XLogP1.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045341
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 41022421) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is KPJPWCIQPXQUQS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-25(14-20(26)24-17-7-3-6-16(22)12-17)21(27)15-5-2-9-19(11-15)31(28,29)23-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,23H,4,8,10,13-14H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 449.50 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 41022421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).