(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate

C18H21NO5S — CID 7973283

IUPAC(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H21NO5S/c1-13-5-7-14(8-6-13)12-24-18(20)15-9-10-16(23-4)17(11-15)25(21,22)19(2)3/h5-11H,12H2,1-4H3
InChIKeyNRRPFLDOAWIROV-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.61
Rot. Bonds6

About (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate

(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 7973283) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID7973283
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H21NO5S/c1-13-5-7-14(8-6-13)12-24-18(20)15-9-10-16(23-4)17(11-15)25(21,22)19(2)3/h5-11H,12H2,1-4H3
InChIKeyNRRPFLDOAWIROV-UHFFFAOYSA-N
XLogP2.61
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate 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

(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 94448571
2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973233
(4-carbamoylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 26961474
(2-chloro-6-fluorophenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973521
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973340
[2-(3-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973554
[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
(4-methylphenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529928

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 7973283) is (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is NRRPFLDOAWIROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13-5-7-14(8-6-13)12-24-18(20)15-9-10-16(23-4)17(11-15)25(21,22)19(2)3/h5-11H,12H2,1-4H3.
What are the key properties of (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 363.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7973283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).