(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

C19H23NO4S — CID 7753628

IUPAC(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-14(2)20(4)25(22,23)18-7-5-6-17(12-18)19(21)24-13-16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyLWJWETWLHKFXQE-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.38
Rot. Bonds6

About (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 7753628) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID7753628
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-14(2)20(4)25(22,23)18-7-5-6-17(12-18)19(21)24-13-16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyLWJWETWLHKFXQE-UHFFFAOYSA-N
XLogP3.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
[2-(4-ethylphenyl)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753639
(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753719
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 42978879
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753772
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753604
[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 46544000
2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753616
(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
CID 18199634
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 7753628) is (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is LWJWETWLHKFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(2)20(4)25(22,23)18-7-5-6-17(12-18)19(21)24-13-16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3.
What are the key properties of (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 361.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 7753628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).