N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide

C22H26ClFN4O4S — CID 4969184

IUPACN-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C22H26ClFN4O4S/c23-16-3-5-19(18(24)13-16)26-22(29)15-25-20-14-17(4-6-21(20)27-7-1-2-8-27)33(30,31)28-9-11-32-12-10-28/h3-6,13-14,25H,1-2,7-12,15H2,(H,26,29)
InChIKeyVQGLRJJJAVMNAP-UHFFFAOYSA-N
MW496.99 g/mol
LogP3.15
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide (PubChem CID 4969184) has the molecular formula C22H26ClFN4O4S and a molecular weight of 496.99 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
PubChem CID4969184
Molecular FormulaC22H26ClFN4O4S
Molecular Weight496.99 g/mol
Exact Mass496.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C22H26ClFN4O4S/c23-16-3-5-19(18(24)13-16)26-22(29)15-25-20-14-17(4-6-21(20)27-7-1-2-8-27)33(30,31)28-9-11-32-12-10-28/h3-6,13-14,25H,1-2,7-12,15H2,(H,26,29)
InChIKeyVQGLRJJJAVMNAP-UHFFFAOYSA-N
XLogP3.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.99
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 3280480
1-(4-Fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 3902670
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
1-(3-Chlorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 4337596
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(cyclohexylamino)acetamide
CID 4464092
2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide
CID 4838130
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840515
1-(2-Fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 4876694
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884602

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide (CID 4969184) is N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is VQGLRJJJAVMNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O4S/c23-16-3-5-19(18(24)13-16)26-22(29)15-25-20-14-17(4-6-21(20)27-7-1-2-8-27)33(30,31)28-9-11-32-12-10-28/h3-6,13-14,25H,1-2,7-12,15H2,(H,26,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 496.99 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 4969184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).