4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide

C17H25FN2O4S — CID 60559292

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCN(CC1CCCO1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-19(13-15-5-4-12-24-15)17(21)6-3-11-20(2)25(22,23)16-9-7-14(18)8-10-16/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyBAABFUJYLNNZGH-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.86
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 60559292) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID60559292
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCN(CC1CCCO1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-19(13-15-5-4-12-24-15)17(21)6-3-11-20(2)25(22,23)16-9-7-14(18)8-10-16/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyBAABFUJYLNNZGH-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid cyclohexylamide
CID 649739
1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
N-Cyclopentyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 3207003
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
N-Cyclohexyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 651522
2-(4-Fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207014
N-Cyclopentylcarbamoylmethyl-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207002
2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid cyclopentylamide
CID 3207004
2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid tert-butylamide
CID 3207008
2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid (1,1-dimethyl-propyl)-amide
CID 3207011
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 2921284
1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 2921460

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 60559292) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide is CN(CC1CCCO1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is BAABFUJYLNNZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-19(13-15-5-4-12-24-15)17(21)6-3-11-20(2)25(22,23)16-9-7-14(18)8-10-16/h7-10,15H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 372.46 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 60559292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).