N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide

C18H21NO5S — CID 7751072

IUPACN-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-12-9-16(23-2)17(24-3)10-15(12)19-18(20)14-7-5-13(6-8-14)11-25(4,21)22/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeySSDQGEROAQTNTQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.81
Rot. Bonds6

About N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide

N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 7751072) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID7751072
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-12-9-16(23-2)17(24-3)10-15(12)19-18(20)14-7-5-13(6-8-14)11-25(4,21)22/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeySSDQGEROAQTNTQ-UHFFFAOYSA-N
XLogP2.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 7751072) is N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide is COc1cc(C)c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is SSDQGEROAQTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-12-9-16(23-2)17(24-3)10-15(12)19-18(20)14-7-5-13(6-8-14)11-25(4,21)22/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 7751072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).