methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C20H20F2N2O7S — CID 24659342

IUPACmethyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(F)cc1F
InChIInChI=1S/C20H20F2N2O7S/c1-29-18-4-3-12(32(27,28)24-5-7-31-8-6-24)9-14(18)19(25)23-17-10-13(20(26)30-2)15(21)11-16(17)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeyRWZQQEDZVNRALF-UHFFFAOYSA-N
MW470.45 g/mol
LogP2.03
Rot. Bonds6

About methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 24659342) has the molecular formula C20H20F2N2O7S and a molecular weight of 470.45 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID24659342
Molecular FormulaC20H20F2N2O7S
Molecular Weight470.45 g/mol
Exact Mass470.10
IUPAC Namemethyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(F)cc1F
InChIInChI=1S/C20H20F2N2O7S/c1-29-18-4-3-12(32(27,28)24-5-7-31-8-6-24)9-14(18)19(25)23-17-10-13(20(26)30-2)15(21)11-16(17)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeyRWZQQEDZVNRALF-UHFFFAOYSA-N
XLogP2.03
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate with MolForge

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Related Compounds

dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 24659342) is methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is RWZQQEDZVNRALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O7S/c1-29-18-4-3-12(32(27,28)24-5-7-31-8-6-24)9-14(18)19(25)23-17-10-13(20(26)30-2)15(21)11-16(17)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,25).
What are the key properties of methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 470.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 24659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).