3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

C16H23FN2O4S — CID 113139302

IUPAC3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-16(20)18-11-15-3-2-10-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyWNKXJLNTVSTJIN-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.27
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113139302) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113139302
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-16(20)18-11-15-3-2-10-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyWNKXJLNTVSTJIN-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1073046
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113140433
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[(4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 127266916
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 113139302) is 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCC1CCCO1)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is WNKXJLNTVSTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-16(20)18-11-15-3-2-10-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113139302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).