N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide

C21H22N4O6S — CID 4158429

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-29-18-7-6-15(12-19(18)32(27,28)25-8-10-30-11-9-25)24-20(26)13-31-21-16-4-2-3-5-17(16)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)
InChIKeyRWBDIRWTUWBIHZ-UHFFFAOYSA-N
MW458.50 g/mol
LogP1.68
Rot. Bonds7

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 4158429) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide
PubChem CID4158429
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-29-18-7-6-15(12-19(18)32(27,28)25-8-10-30-11-9-25)24-20(26)13-31-21-16-4-2-3-5-17(16)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)
InChIKeyRWBDIRWTUWBIHZ-UHFFFAOYSA-N
XLogP1.68
TPSA119.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4840075
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide (CID 4158429) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide is COc1ccc(NC(=O)COc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is RWBDIRWTUWBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-29-18-7-6-15(12-19(18)32(27,28)25-8-10-30-11-9-25)24-20(26)13-31-21-16-4-2-3-5-17(16)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 458.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 4158429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).