1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone

C19H21FN2O4S — CID 110830447

IUPAC1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-14-2-3-15(12-18(14)20)19(23)13-21-16-4-6-17(7-5-16)27(24,25)22-8-10-26-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyQMTFOONEFPMEIK-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.45
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone

1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone (PubChem CID 110830447) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
PubChem CID110830447
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-14-2-3-15(12-18(14)20)19(23)13-21-16-4-6-17(7-5-16)27(24,25)22-8-10-26-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyQMTFOONEFPMEIK-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
CID 29327873
2-(2-methyl-4-nitroanilino)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824277
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 37007638

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone (CID 110830447) is 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone is Cc1ccc(C(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone?
The InChIKey is QMTFOONEFPMEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-14-2-3-15(12-18(14)20)19(23)13-21-16-4-6-17(7-5-16)27(24,25)22-8-10-26-11-9-22/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone?
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone has a molecular weight of 392.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone is sourced from PubChem (CID 110830447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).