4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide

C23H29N3O6S — CID 55893839

IUPAC4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S/c1-25(2)23(28)18-7-10-21(31-3)20(16-18)24-22(27)11-6-17-4-8-19(9-5-17)33(29,30)26-12-14-32-15-13-26/h4-5,7-10,16H,6,11-15H2,1-3H3,(H,24,27)
InChIKeyABYLVOXGPAKKHW-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.99
Rot. Bonds8

About 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide

4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide (PubChem CID 55893839) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
PubChem CID55893839
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S/c1-25(2)23(28)18-7-10-21(31-3)20(16-18)24-22(27)11-6-17-4-8-19(9-5-17)33(29,30)26-12-14-32-15-13-26/h4-5,7-10,16H,6,11-15H2,1-3H3,(H,24,27)
InChIKeyABYLVOXGPAKKHW-UHFFFAOYSA-N
XLogP1.99
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 43901012
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 24555019
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42995329
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 55806613
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide (CID 55893839) is 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The InChIKey is ABYLVOXGPAKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-25(2)23(28)18-7-10-21(31-3)20(16-18)24-22(27)11-6-17-4-8-19(9-5-17)33(29,30)26-12-14-32-15-13-26/h4-5,7-10,16H,6,11-15H2,1-3H3,(H,24,27).
What are the key properties of 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide has a molecular weight of 475.57 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 55893839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).