2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C21H25FN4O5S — CID 53283272

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN4O5S/c1-24(2)32(29,30)26(17-9-7-16(22)8-10-17)15-20(27)23-19-6-4-3-5-18(19)21(28)25-11-13-31-14-12-25/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyAENWKQULQCQWQZ-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.55
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 53283272) has the molecular formula C21H25FN4O5S and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID53283272
Molecular FormulaC21H25FN4O5S
Molecular Weight464.52 g/mol
Exact Mass464.15
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN4O5S/c1-24(2)32(29,30)26(17-9-7-16(22)8-10-17)15-20(27)23-19-6-4-3-5-18(19)21(28)25-11-13-31-14-12-25/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyAENWKQULQCQWQZ-UHFFFAOYSA-N
XLogP1.55
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 6500029
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2224224
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 30271328
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 21368234
2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2206606
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2957206

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 53283272) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is AENWKQULQCQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O5S/c1-24(2)32(29,30)26(17-9-7-16(22)8-10-17)15-20(27)23-19-6-4-3-5-18(19)21(28)25-11-13-31-14-12-25/h3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 464.52 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 53283272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).