4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide

C17H19FN2O4S — CID 55973897

IUPAC4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-25(22,23)20-16-9-3-2-8-15(16)19-17(21)10-5-11-24-14-7-4-6-13(18)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,19,21)
InChIKeyKHXZZAOPFFZZQE-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.99
Rot. Bonds8

About 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide

4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide (PubChem CID 55973897) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
PubChem CID55973897
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-25(22,23)20-16-9-3-2-8-15(16)19-17(21)10-5-11-24-14-7-4-6-13(18)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,19,21)
InChIKeyKHXZZAOPFFZZQE-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
CID 55965654
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
CID 55973632
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953
4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 52714970
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide (CID 55973897) is 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide is CS(=O)(=O)Nc1ccccc1NC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide?
The InChIKey is KHXZZAOPFFZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-25(22,23)20-16-9-3-2-8-15(16)19-17(21)10-5-11-24-14-7-4-6-13(18)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,19,21).
What are the key properties of 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide?
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide has a molecular weight of 366.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 55973897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).