2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide

C14H21FN2O3S — CID 17434301

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-4-12(5-2)16-14(18)10-17(3)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyCEEYURLEMXURMH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide (PubChem CID 17434301) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
PubChem CID17434301
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-4-12(5-2)16-14(18)10-17(3)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyCEEYURLEMXURMH-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55963206
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55889316
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
CID 55602011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide (CID 17434301) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide?
The InChIKey is CEEYURLEMXURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-4-12(5-2)16-14(18)10-17(3)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 17434301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).