N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide

C16H23FN2O4S — CID 113067555

IUPACN-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1F
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(10-8-13-5-2-3-6-14(13)17)11-9-18-16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20)
InChIKeyPTYKERQOMVKWSG-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.93
Rot. Bonds8

About N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide

N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide (PubChem CID 113067555) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
PubChem CID113067555
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC NameN-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1F
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(10-8-13-5-2-3-6-14(13)17)11-9-18-16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20)
InChIKeyPTYKERQOMVKWSG-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
CID 61080279
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide (CID 113067555) is N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1F.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is PTYKERQOMVKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-24(21,22)19(10-8-13-5-2-3-6-14(13)17)11-9-18-16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).