4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide

C18H21FN2O4S — CID 60562349

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
SMILESCc1ccc(O)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-13-5-10-17(22)16(12-13)20-18(23)4-3-11-21(2)26(24,25)15-8-6-14(19)7-9-15/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyZDCITXJDMSVAAB-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.88
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide (PubChem CID 60562349) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
PubChem CID60562349
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
SMILESCc1ccc(O)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-13-5-10-17(22)16(12-13)20-18(23)4-3-11-21(2)26(24,25)15-8-6-14(19)7-9-15/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyZDCITXJDMSVAAB-UHFFFAOYSA-N
XLogP2.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
CID 75425148
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 22109787
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 2136205

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide (CID 60562349) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide is Cc1ccc(O)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide?
The InChIKey is ZDCITXJDMSVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-13-5-10-17(22)16(12-13)20-18(23)4-3-11-21(2)26(24,25)15-8-6-14(19)7-9-15/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide has a molecular weight of 380.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide is sourced from PubChem (CID 60562349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).