N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide

C25H26F2N2O4S — CID 55510143

IUPACN-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C25H26F2N2O4S/c1-16-10-12-19(34(31,32)29(4)23-8-6-7-9-24(23)33-5)15-20(16)25(30)28(3)17(2)18-11-13-21(26)22(27)14-18/h6-15,17H,1-5H3
InChIKeyGCLFALMDTUIWRZ-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide (PubChem CID 55510143) has the molecular formula C25H26F2N2O4S and a molecular weight of 488.56 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
PubChem CID55510143
Molecular FormulaC25H26F2N2O4S
Molecular Weight488.56 g/mol
Exact Mass488.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C25H26F2N2O4S/c1-16-10-12-19(34(31,32)29(4)23-8-6-7-9-24(23)33-5)15-20(16)25(30)28(3)17(2)18-11-13-21(26)22(27)14-18/h6-15,17H,1-5H3
InChIKeyGCLFALMDTUIWRZ-UHFFFAOYSA-N
XLogP4.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
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-[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-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55368442
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide (CID 55510143) is N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide?
The InChIKey is GCLFALMDTUIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O4S/c1-16-10-12-19(34(31,32)29(4)23-8-6-7-9-24(23)33-5)15-20(16)25(30)28(3)17(2)18-11-13-21(26)22(27)14-18/h6-15,17H,1-5H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide has a molecular weight of 488.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 55510143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).