N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

C23H22F2N2O4S — CID 37391756

IUPACN-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C23H22F2N2O4S/c1-15-8-9-19(32(29,30)27(2)21-6-4-5-7-22(21)31-3)13-20(15)23(28)26-14-16-10-17(24)12-18(25)11-16/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyPKHYCRVQIJLBBV-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.04
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (PubChem CID 37391756) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
PubChem CID37391756
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C23H22F2N2O4S/c1-15-8-9-19(32(29,30)27(2)21-6-4-5-7-22(21)31-3)13-20(15)23(28)26-14-16-10-17(24)12-18(25)11-16/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyPKHYCRVQIJLBBV-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
CID 55510143
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (CID 37391756) is N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is PKHYCRVQIJLBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-15-8-9-19(32(29,30)27(2)21-6-4-5-7-22(21)31-3)13-20(15)23(28)26-14-16-10-17(24)12-18(25)11-16/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 460.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 37391756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).