2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide

C22H29FN4O4S — CID 4838130

IUPAC2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H29FN4O4S/c1-3-27(4-2)32(29,30)19-9-10-21(26-11-13-31-14-12-26)20(15-19)24-16-22(28)25-18-7-5-17(23)6-8-18/h5-10,15,24H,3-4,11-14,16H2,1-2H3,(H,25,28)
InChIKeyVWEGSQUODLBUQM-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.74
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide

2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide (PubChem CID 4838130) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide
PubChem CID4838130
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H29FN4O4S/c1-3-27(4-2)32(29,30)19-9-10-21(26-11-13-31-14-12-26)20(15-19)24-16-22(28)25-18-7-5-17(23)6-8-18/h5-10,15,24H,3-4,11-14,16H2,1-2H3,(H,25,28)
InChIKeyVWEGSQUODLBUQM-UHFFFAOYSA-N
XLogP2.74
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
6-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 31760204
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide (CID 4838130) is 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide?
The InChIKey is VWEGSQUODLBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c1-3-27(4-2)32(29,30)19-9-10-21(26-11-13-31-14-12-26)20(15-19)24-16-22(28)25-18-7-5-17(23)6-8-18/h5-10,15,24H,3-4,11-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide?
2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide has a molecular weight of 464.56 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4838130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).