N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide

C25H35N3O5S — CID 30587513

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C25H35N3O5S/c1-5-27(6-2)23-12-11-20(34(30,31)28-13-15-32-16-14-28)17-22(23)26-25(29)18-33-24-10-8-7-9-21(24)19(3)4/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H,26,29)
InChIKeyCREUGVGONXMMAX-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.69
Rot. Bonds10

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 30587513) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID30587513
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C25H35N3O5S/c1-5-27(6-2)23-12-11-20(34(30,31)28-13-15-32-16-14-28)17-22(23)26-25(29)18-33-24-10-8-7-9-21(24)19(3)4/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H,26,29)
InChIKeyCREUGVGONXMMAX-UHFFFAOYSA-N
XLogP3.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 24820046
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-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55312863
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
2-(2-cyanophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 55597453
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 30587513) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is CREUGVGONXMMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-5-27(6-2)23-12-11-20(34(30,31)28-13-15-32-16-14-28)17-22(23)26-25(29)18-33-24-10-8-7-9-21(24)19(3)4/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 489.64 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 30587513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).