4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide

C23H24FN3O4S — CID 55878929

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(OCc2ccccc2)nc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4S/c1-27(32(29,30)21-12-9-19(24)10-13-21)15-5-8-22(28)26-20-11-14-23(25-16-20)31-17-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,28)
InChIKeyVXYACENHYNCYFM-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.84
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide (PubChem CID 55878929) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
PubChem CID55878929
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(OCc2ccccc2)nc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4S/c1-27(32(29,30)21-12-9-19(24)10-13-21)15-5-8-22(28)26-20-11-14-23(25-16-20)31-17-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,28)
InChIKeyVXYACENHYNCYFM-UHFFFAOYSA-N
XLogP3.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800283
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37121741

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide (CID 55878929) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide is CN(CCCC(=O)Nc1ccc(OCc2ccccc2)nc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide?
The InChIKey is VXYACENHYNCYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-27(32(29,30)21-12-9-19(24)10-13-21)15-5-8-22(28)26-20-11-14-23(25-16-20)31-17-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,28).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide has a molecular weight of 457.53 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 55878929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).