N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide

C18H21FN2O4S — CID 42123150

IUPACN-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-26(23,24)21-16-8-4-14(5-9-16)18(22)20-12-2-3-13-25-17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyDMUUNHBLFRCVKZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.79
Rot. Bonds9

About N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide

N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide (PubChem CID 42123150) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
PubChem CID42123150
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-26(23,24)21-16-8-4-14(5-9-16)18(22)20-12-2-3-13-25-17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyDMUUNHBLFRCVKZ-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.79
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-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
ethyl [4-[3-[[4-(methanesulfonamido)benzoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932294
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide (CID 42123150) is N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide?
The InChIKey is DMUUNHBLFRCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-26(23,24)21-16-8-4-14(5-9-16)18(22)20-12-2-3-13-25-17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide?
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 42123150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).