N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C24H24F2N2O5S — CID 38966384

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1OC(F)F
InChIInChI=1S/C24H24F2N2O5S/c1-15-4-8-18(9-5-15)28-34(30,31)19-10-6-16(2)20(13-19)23(29)27-14-17-7-11-21(32-3)22(12-17)33-24(25)26/h4-13,24,28H,14H2,1-3H3,(H,27,29)
InChIKeyMQEJONLZMOWFHY-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.64
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 38966384) has the molecular formula C24H24F2N2O5S and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID38966384
Molecular FormulaC24H24F2N2O5S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1OC(F)F
InChIInChI=1S/C24H24F2N2O5S/c1-15-4-8-18(9-5-15)28-34(30,31)19-10-6-16(2)20(13-19)23(29)27-14-17-7-11-21(32-3)22(12-17)33-24(25)26/h4-13,24,28H,14H2,1-3H3,(H,27,29)
InChIKeyMQEJONLZMOWFHY-UHFFFAOYSA-N
XLogP4.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 41262425
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60578769
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 38966384) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MQEJONLZMOWFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O5S/c1-15-4-8-18(9-5-15)28-34(30,31)19-10-6-16(2)20(13-19)23(29)27-14-17-7-11-21(32-3)22(12-17)33-24(25)26/h4-13,24,28H,14H2,1-3H3,(H,27,29).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 490.53 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 38966384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).