N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C24H24F2N2O4S — CID 66715019

IUPACN-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H24F2N2O4S/c1-16-8-13-20(14-17(16)2)28(33(3,30)31)15-18-9-11-19(12-10-18)23(29)27-21-6-4-5-7-22(21)32-24(25)26/h4-14,24H,15H2,1-3H3,(H,27,29)
InChIKeyCMRKQFBFAQJNJV-UHFFFAOYSA-N
MW474.53 g/mol
LogP5.12
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 66715019) has the molecular formula C24H24F2N2O4S and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID66715019
Molecular FormulaC24H24F2N2O4S
Molecular Weight474.53 g/mol
Exact Mass474.14
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H24F2N2O4S/c1-16-8-13-20(14-17(16)2)28(33(3,30)31)15-18-9-11-19(12-10-18)23(29)27-21-6-4-5-7-22(21)32-24(25)26/h4-14,24H,15H2,1-3H3,(H,27,29)
InChIKeyCMRKQFBFAQJNJV-UHFFFAOYSA-N
XLogP5.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-ethoxyphenyl)benzamide
CID 66715077
4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 56832585
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 53287919
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
4-[[2,3-dihydro-1H-inden-5-yl(methylsulfonyl)amino]methyl]-N-(2-ethoxyphenyl)benzamide
CID 56832742
N-[(2R)-butan-2-yl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1131217
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94026927
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
CID 56832954

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 66715019) is N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is CMRKQFBFAQJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4S/c1-16-8-13-20(14-17(16)2)28(33(3,30)31)15-18-9-11-19(12-10-18)23(29)27-21-6-4-5-7-22(21)32-24(25)26/h4-14,24H,15H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 474.53 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 66715019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).