N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C23H29N3O7S — CID 30860230

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O7S/c1-25(2)23(28)16-33-19-7-5-18(6-8-19)24-22(27)15-17-4-9-20(31-3)21(14-17)34(29,30)26-10-12-32-13-11-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyWAFAQGREULFLEC-UHFFFAOYSA-N
MW491.57 g/mol
LogP1.36
Rot. Bonds9

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 30860230) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID30860230
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O7S/c1-25(2)23(28)16-33-19-7-5-18(6-8-19)24-22(27)15-17-4-9-20(31-3)21(14-17)34(29,30)26-10-12-32-13-11-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyWAFAQGREULFLEC-UHFFFAOYSA-N
XLogP1.36
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 30872900
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 30860230) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is WAFAQGREULFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-25(2)23(28)16-33-19-7-5-18(6-8-19)24-22(27)15-17-4-9-20(31-3)21(14-17)34(29,30)26-10-12-32-13-11-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 491.57 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30860230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).