2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

C15H21F2N3O4S — CID 50946442

IUPAC2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)
InChIKeyAQQAQDFIODGRQQ-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.18
Rot. Bonds7

About 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 50946442) has the molecular formula C15H21F2N3O4S and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID50946442
Molecular FormulaC15H21F2N3O4S
Molecular Weight377.41 g/mol
Exact Mass377.12
IUPAC Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)
InChIKeyAQQAQDFIODGRQQ-UHFFFAOYSA-N
XLogP0.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 6492950
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 50946442) is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AQQAQDFIODGRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21).
What are the key properties of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 377.41 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 50946442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).