methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate

C18H19NO5S — CID 35249899

IUPACmethyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-11-5-7-14(25(4,22)23)10-15(11)17(20)19-16-8-6-13(9-12(16)2)18(21)24-3/h5-10H,1-4H3,(H,19,20)
InChIKeyHLYDAVJFIYUKCV-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.75
Rot. Bonds4

About methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate

methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate (PubChem CID 35249899) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
PubChem CID35249899
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namemethyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-11-5-7-14(25(4,22)23)10-15(11)17(20)19-16-8-6-13(9-12(16)2)18(21)24-3/h5-10H,1-4H3,(H,19,20)
InChIKeyHLYDAVJFIYUKCV-UHFFFAOYSA-N
XLogP2.75
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
CID 24585775
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 136578574
methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
CID 18083965
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate (CID 35249899) is methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate?
The InChIKey is HLYDAVJFIYUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-11-5-7-14(25(4,22)23)10-15(11)17(20)19-16-8-6-13(9-12(16)2)18(21)24-3/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate?
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate has a molecular weight of 361.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 35249899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).