4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide

C20H23FN2O4S — CID 60574539

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
SMILESC=CCOc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O4S/c1-3-14-27-18-7-4-6-17(15-18)22-20(24)8-5-13-23(2)28(25,26)19-11-9-16(21)10-12-19/h3-4,6-7,9-12,15H,1,5,8,13-14H2,2H3,(H,22,24)
InChIKeyFCVRKBKSIJGTFS-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.43
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide (PubChem CID 60574539) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
PubChem CID60574539
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
SMILESC=CCOc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O4S/c1-3-14-27-18-7-4-6-17(15-18)22-20(24)8-5-13-23(2)28(25,26)19-11-9-16(21)10-12-19/h3-4,6-7,9-12,15H,1,5,8,13-14H2,2H3,(H,22,24)
InChIKeyFCVRKBKSIJGTFS-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(3-prop-2-enoxyphenyl)acetamide
CID 30275896
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 47071098
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
CID 55878929

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide (CID 60574539) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide is C=CCOc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide?
The InChIKey is FCVRKBKSIJGTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-3-14-27-18-7-4-6-17(15-18)22-20(24)8-5-13-23(2)28(25,26)19-11-9-16(21)10-12-19/h3-4,6-7,9-12,15H,1,5,8,13-14H2,2H3,(H,22,24).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide has a molecular weight of 406.48 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide is sourced from PubChem (CID 60574539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).