N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

C22H20F2N2O3S — CID 1290601

IUPACN-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-21-12-9-18(23)13-20(21)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyASIYUPULQWMPOP-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.49
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 1290601) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID1290601
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-21-12-9-18(23)13-20(21)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyASIYUPULQWMPOP-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
N-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032398
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 1290601) is N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is ASIYUPULQWMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-21-12-9-18(23)13-20(21)24/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 1290601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).