methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate

C18H19NO5S — CID 7669541

IUPACmethyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H19NO5S/c1-12-7-8-15(18(21)24-2)10-16(12)19-17(20)14-6-4-5-13(9-14)11-25(3,22)23/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyAOEUHYOGKDZWLK-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.58
Rot. Bonds5

About methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate

methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 7669541) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID7669541
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namemethyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H19NO5S/c1-12-7-8-15(18(21)24-2)10-16(12)19-17(20)14-6-4-5-13(9-14)11-25(3,22)23/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyAOEUHYOGKDZWLK-UHFFFAOYSA-N
XLogP2.58
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
methyl 4-methyl-3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43922648
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate (CID 7669541) is methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1.
What is the InChIKey of methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is AOEUHYOGKDZWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12-7-8-15(18(21)24-2)10-16(12)19-17(20)14-6-4-5-13(9-14)11-25(3,22)23/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate?
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate has a molecular weight of 361.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 7669541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).