N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide

C23H24FN3O3S — CID 86918995

IUPACN-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H24FN3O3S/c1-16-7-13-21(14-8-16)31(29,30)27-20-11-9-19(10-12-20)26-17(2)23(28)25-15-18-5-3-4-6-22(18)24/h3-14,17,26-27H,15H2,1-2H3,(H,25,28)
InChIKeyQLJVMPFDHSIELI-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.05
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide

N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide (PubChem CID 86918995) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide
PubChem CID86918995
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H24FN3O3S/c1-16-7-13-21(14-8-16)31(29,30)27-20-11-9-19(10-12-20)26-17(2)23(28)25-15-18-5-3-4-6-22(18)24/h3-14,17,26-27H,15H2,1-2H3,(H,25,28)
InChIKeyQLJVMPFDHSIELI-UHFFFAOYSA-N
XLogP4.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78792819
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 96549747
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9142237
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
CID 41153855
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987263
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide (CID 86918995) is N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide?
The InChIKey is QLJVMPFDHSIELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-16-7-13-21(14-8-16)31(29,30)27-20-11-9-19(10-12-20)26-17(2)23(28)25-15-18-5-3-4-6-22(18)24/h3-14,17,26-27H,15H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide?
N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide has a molecular weight of 441.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide is sourced from PubChem (CID 86918995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).