methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate

C18H21NO5S — CID 54295788

IUPACmethyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
SMILESCCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1
InChIInChI=1S/C18H21NO5S/c1-5-13-10-12(2)17(16(11-13)18(20)24-4)19-25(21,22)15-8-6-14(23-3)7-9-15/h6-11,19H,5H2,1-4H3
InChIKeySARVGGJNSXBGRL-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.15
Rot. Bonds6

About methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate

methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate (PubChem CID 54295788) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
PubChem CID54295788
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
SMILESCCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1
InChIInChI=1S/C18H21NO5S/c1-5-13-10-12(2)17(16(11-13)18(20)24-4)19-25(21,22)15-8-6-14(23-3)7-9-15/h6-11,19H,5H2,1-4H3
InChIKeySARVGGJNSXBGRL-UHFFFAOYSA-N
XLogP3.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 21251115
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
CID 36591620
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
CID 58937149
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The IUPAC name of methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate (CID 54295788) is methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The canonical SMILES for methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate is CCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The InChIKey is SARVGGJNSXBGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-5-13-10-12(2)17(16(11-13)18(20)24-4)19-25(21,22)15-8-6-14(23-3)7-9-15/h6-11,19H,5H2,1-4H3.
What are the key properties of methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate has a molecular weight of 363.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate is sourced from PubChem (CID 54295788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).