2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C15H21FN2O4S — CID 113150938

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O4S/c1-23(20,21)18(10-12-5-2-3-7-14(12)16)11-15(19)17-9-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)
InChIKeyVVTYVDNHRLGZCE-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.88
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113150938) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113150938
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O4S/c1-23(20,21)18(10-12-5-2-3-7-14(12)16)11-15(19)17-9-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)
InChIKeyVVTYVDNHRLGZCE-UHFFFAOYSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 100583862
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1276390
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 113150938) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VVTYVDNHRLGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-23(20,21)18(10-12-5-2-3-7-14(12)16)11-15(19)17-9-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113150938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).