3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide

C18H21NO4S — CID 59165579

IUPAC3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-19(2)18(20)14-7-10-17(15(11-14)12-23-3)13-5-8-16(9-6-13)24(4,21)22/h5-11H,12H2,1-4H3
InChIKeyKBVJZULQLBBPMK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.61
Rot. Bonds5

About 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide

3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide (PubChem CID 59165579) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide
PubChem CID59165579
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-19(2)18(20)14-7-10-17(15(11-14)12-23-3)13-5-8-16(9-6-13)24(4,21)22/h5-11H,12H2,1-4H3
InChIKeyKBVJZULQLBBPMK-UHFFFAOYSA-N
XLogP2.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)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

1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene
CID 59165659
3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide
CID 70876869
N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide
CID 159620333
3-methoxy-4-(4-methylsulfonylphenyl)benzoic acid
CID 53228122
4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
CID 142421465
N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide
CID 59165670
3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine
CID 160505635
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
CID 142999553
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7752504
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
CID 70876710
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
2-[4-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide (CID 59165579) is 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide is COCc1cc(C(=O)N(C)C)ccc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide?
The InChIKey is KBVJZULQLBBPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-19(2)18(20)14-7-10-17(15(11-14)12-23-3)13-5-8-16(9-6-13)24(4,21)22/h5-11H,12H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide?
3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 59165579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).