propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C21H24N2O6S — CID 18209204

IUPACpropyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-12-29-21(25)16-6-8-18(9-7-16)22-20(24)17-4-3-5-19(15-17)30(26,27)23-10-13-28-14-11-23/h3-9,15H,2,10-14H2,1H3,(H,22,24)
InChIKeyKBGTXNKIFIEWFA-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.53
Rot. Bonds7

About propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 18209204) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID18209204
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Namepropyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-12-29-21(25)16-6-8-18(9-7-16)22-20(24)17-4-3-5-19(15-17)30(26,27)23-10-13-28-14-11-23/h3-9,15H,2,10-14H2,1H3,(H,22,24)
InChIKeyKBGTXNKIFIEWFA-UHFFFAOYSA-N
XLogP2.53
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
ethyl 4-[[3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoyl]amino]benzoate
CID 4832026
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate
CID 19680395
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26253160
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 18209204) is propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is KBGTXNKIFIEWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-2-12-29-21(25)16-6-8-18(9-7-16)22-20(24)17-4-3-5-19(15-17)30(26,27)23-10-13-28-14-11-23/h3-9,15H,2,10-14H2,1H3,(H,22,24).
What are the key properties of propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 18209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).