ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C20H21BrN2O6S — CID 26253160

IUPACethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)cc1
InChIInChI=1S/C20H21BrN2O6S/c1-2-29-20(25)14-3-5-15(6-4-14)22-19(24)17-13-16(7-8-18(17)21)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyJQUUOAPUMUOOAP-UHFFFAOYSA-N
MW497.37 g/mol
LogP2.90
Rot. Bonds6

About ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 26253160) has the molecular formula C20H21BrN2O6S and a molecular weight of 497.37 g/mol. Its IUPAC name is ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID26253160
Molecular FormulaC20H21BrN2O6S
Molecular Weight497.37 g/mol
Exact Mass496.03
IUPAC Nameethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)cc1
InChIInChI=1S/C20H21BrN2O6S/c1-2-29-20(25)14-3-5-15(6-4-14)22-19(24)17-13-16(7-8-18(17)21)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyJQUUOAPUMUOOAP-UHFFFAOYSA-N
XLogP2.90
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate
CID 19680395
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853441
ethyl 4-[[3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoyl]amino]benzoate
CID 4832026
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
(2-amino-2-oxoethyl) 2-bromo-5-morpholin-4-ylsulfonylbenzoate
CID 7803565
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 26253160) is ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)cc1.
What is the InChIKey of ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is JQUUOAPUMUOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O6S/c1-2-29-20(25)14-3-5-15(6-4-14)22-19(24)17-13-16(7-8-18(17)21)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 497.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 26253160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).