ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate

C22H26N2O7S — CID 2513657

IUPACethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOCRKGEJOZFDSTH-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.07
Rot. Bonds8

About ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate

ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate (PubChem CID 2513657) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
PubChem CID2513657
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Nameethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOCRKGEJOZFDSTH-UHFFFAOYSA-N
XLogP2.07
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate with MolForge

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Related Compounds

PG-116800
CID 9848869
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
Sulfonamide-01
CID 11532283
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4405929
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
4-methoxy-N-(2-methylphenyl)-3-(4-morpholinylcarbonyl)benzenesulfonamide
CID 1250571
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
ethyl 2-({N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1324419
2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
CID 24825719
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate (CID 2513657) is ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The InChIKey is OCRKGEJOZFDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate has a molecular weight of 462.52 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 2513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).