4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide

C16H19FN2O4S — CID 53287962

IUPAC4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccccc1F
InChIInChI=1S/C16H19FN2O4S/c1-24(21,22)19(15-8-3-2-7-14(15)17)10-4-9-16(20)18-12-13-6-5-11-23-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,20)
InChIKeyQFBYEEUBMFJRGD-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.28
Rot. Bonds8

About 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide

4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide (PubChem CID 53287962) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
PubChem CID53287962
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccccc1F
InChIInChI=1S/C16H19FN2O4S/c1-24(21,22)19(15-8-3-2-7-14(15)17)10-4-9-16(20)18-12-13-6-5-11-23-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,20)
InChIKeyQFBYEEUBMFJRGD-UHFFFAOYSA-N
XLogP2.28
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
4-(2-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288065
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 99132564
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99132556
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide (CID 53287962) is 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide is CS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccccc1F.
What is the InChIKey of 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is QFBYEEUBMFJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c1-24(21,22)19(15-8-3-2-7-14(15)17)10-4-9-16(20)18-12-13-6-5-11-23-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,20).
What are the key properties of 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide?
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 354.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 53287962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).