2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H19FN2O4S — CID 3755350

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIWNPZGILMWQYFI-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.89
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3755350) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3755350
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIWNPZGILMWQYFI-UHFFFAOYSA-N
XLogP0.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
2-[3-fluoro(methylsulfonyl)anilino]-N-propylacetamide
CID 1729001
2-[(2,5-dichlorophenyl)(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 2928994
2-[(4-sec-Butylsulfamoyl-benzenesulfonyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-phenyl-acetamide
CID 3202225
2-[(2-Benzenesulfonylamino-acetyl)-(4-fluoro-phenyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3206858
2-[N-(3-chlorophenyl)methanesulfonamido]-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-(N-methylsulfonyl-3-nitroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928771
N~1~-cyclopentyl-N~2~-(3-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 894153
2-[(2-Benzenesulfonylamino-acetyl)-(4-fluoro-phenyl)-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3206859
N-(3-Fluoro-phenyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206940
2-{[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-phenyl-amino}-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207059
2-[(4-Dimethylsulfamoyl-benzenesulfonyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-phenyl-acetamide
CID 649188

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 3755350) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IWNPZGILMWQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3755350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).