N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C23H21F2N3O4S — CID 55347863

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C23H21F2N3O4S/c1-14-3-6-16(7-4-14)28-33(31,32)18-9-5-15(2)19(12-18)23(30)26-13-22(29)27-17-8-10-20(24)21(25)11-17/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySOBRYXOESBQOJK-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55347863) has the molecular formula C23H21F2N3O4S and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55347863
Molecular FormulaC23H21F2N3O4S
Molecular Weight473.50 g/mol
Exact Mass473.12
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C23H21F2N3O4S/c1-14-3-6-16(7-4-14)28-33(31,32)18-9-5-15(2)19(12-18)23(30)26-13-22(29)27-17-8-10-20(24)21(25)11-17/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySOBRYXOESBQOJK-UHFFFAOYSA-N
XLogP3.75
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 34238919
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 55347863) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is SOBRYXOESBQOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O4S/c1-14-3-6-16(7-4-14)28-33(31,32)18-9-5-15(2)19(12-18)23(30)26-13-22(29)27-17-8-10-20(24)21(25)11-17/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55347863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).