N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

C18H21FN2O3S — CID 2136138

IUPACN-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-5-11-17(12-6-14)25(23,24)21(2)13-3-4-18(22)20-16-9-7-15(19)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyHBDLWIRWUWVQGT-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.17
Rot. Bonds7

About N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 2136138) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
PubChem CID2136138
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-5-11-17(12-6-14)25(23,24)21(2)13-3-4-18(22)20-16-9-7-15(19)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyHBDLWIRWUWVQGT-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (CID 2136138) is N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is HBDLWIRWUWVQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-5-11-17(12-6-14)25(23,24)21(2)13-3-4-18(22)20-16-9-7-15(19)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 364.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 2136138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).