2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide

C24H30N4O5S — CID 55312863

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C24H30N4O5S/c1-3-27(4-2)23-10-9-21(34(30,31)28-13-15-32-16-14-28)17-22(23)26-24(29)18-33-20-7-5-19(6-8-20)11-12-25/h5-10,17H,3-4,11,13-16,18H2,1-2H3,(H,26,29)
InChIKeyRQXATNFFZZQPLM-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.64
Rot. Bonds10

About 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide (PubChem CID 55312863) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
PubChem CID55312863
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C24H30N4O5S/c1-3-27(4-2)23-10-9-21(34(30,31)28-13-15-32-16-14-28)17-22(23)26-24(29)18-33-20-7-5-19(6-8-20)11-12-25/h5-10,17H,3-4,11,13-16,18H2,1-2H3,(H,26,29)
InChIKeyRQXATNFFZZQPLM-UHFFFAOYSA-N
XLogP2.64
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
2-(3-chloro-4-fluorophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 30784633
2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55313139
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 24820046
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800378
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide (CID 55312863) is 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The InChIKey is RQXATNFFZZQPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-3-27(4-2)23-10-9-21(34(30,31)28-13-15-32-16-14-28)17-22(23)26-24(29)18-33-20-7-5-19(6-8-20)11-12-25/h5-10,17H,3-4,11,13-16,18H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide is sourced from PubChem (CID 55312863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).