2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C25H33N3O6S — CID 4153056

IUPAC2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C25H33N3O6S/c1-4-27(5-2)12-17-34-25(30)20-8-10-22(11-9-20)26-24(29)21-7-6-19(3)23(18-21)35(31,32)28-13-15-33-16-14-28/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,29)
InChIKeyLTNUASSKFHPIEG-UHFFFAOYSA-N
MW503.62 g/mol
LogP2.77
Rot. Bonds10

About 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 4153056) has the molecular formula C25H33N3O6S and a molecular weight of 503.62 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID4153056
Molecular FormulaC25H33N3O6S
Molecular Weight503.62 g/mol
Exact Mass503.21
IUPAC Name2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C25H33N3O6S/c1-4-27(5-2)12-17-34-25(30)20-8-10-22(11-9-20)26-24(29)21-7-6-19(3)23(18-21)35(31,32)28-13-15-33-16-14-28/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,29)
InChIKeyLTNUASSKFHPIEG-UHFFFAOYSA-N
XLogP2.77
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate with MolForge

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Related Compounds

propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023467
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 4153056) is 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is LTNUASSKFHPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6S/c1-4-27(5-2)12-17-34-25(30)20-8-10-22(11-9-20)26-24(29)21-7-6-19(3)23(18-21)35(31,32)28-13-15-33-16-14-28/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,29).
What are the key properties of 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 503.62 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 4153056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).