N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide

C18H19F2N3O4S — CID 9083286

IUPACN-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O4S/c19-13-4-5-16(20)17(10-13)22-18(24)12-21-14-2-1-3-15(11-14)28(25,26)23-6-8-27-9-7-23/h1-5,10-11,21H,6-9,12H2,(H,22,24)
InChIKeyBAWASWDBDNPKRX-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.04
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide

N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 9083286) has the molecular formula C18H19F2N3O4S and a molecular weight of 411.43 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID9083286
Molecular FormulaC18H19F2N3O4S
Molecular Weight411.43 g/mol
Exact Mass411.11
IUPAC NameN-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O4S/c19-13-4-5-16(20)17(10-13)22-18(24)12-21-14-2-1-3-15(11-14)28(25,26)23-6-8-27-9-7-23/h1-5,10-11,21H,6-9,12H2,(H,22,24)
InChIKeyBAWASWDBDNPKRX-UHFFFAOYSA-N
XLogP2.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
1-(2,5-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271641
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide (CID 9083286) is N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide is O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is BAWASWDBDNPKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4S/c19-13-4-5-16(20)17(10-13)22-18(24)12-21-14-2-1-3-15(11-14)28(25,26)23-6-8-27-9-7-23/h1-5,10-11,21H,6-9,12H2,(H,22,24).
What are the key properties of N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 411.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).