[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate

C25H34N2O7S — CID 5142851

IUPAC[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N2O7S/c1-32-22-11-20(35(30,31)27-4-6-33-7-5-27)2-3-21(22)26-23(28)16-34-24(29)15-25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,17-19H,4-10,12-16H2,1H3,(H,26,28)
InChIKeyZOWGNBGICZZEQF-UHFFFAOYSA-N
MW506.62 g/mol
LogP2.80
Rot. Bonds8

About [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate (PubChem CID 5142851) has the molecular formula C25H34N2O7S and a molecular weight of 506.62 g/mol. Its IUPAC name is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
PubChem CID5142851
Molecular FormulaC25H34N2O7S
Molecular Weight506.62 g/mol
Exact Mass506.21
IUPAC Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N2O7S/c1-32-22-11-20(35(30,31)27-4-6-33-7-5-27)2-3-21(22)26-23(28)16-34-24(29)15-25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,17-19H,4-10,12-16H2,1H3,(H,26,28)
InChIKeyZOWGNBGICZZEQF-UHFFFAOYSA-N
XLogP2.80
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2357921
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 98630281
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 98388003
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 23933211
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673318
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2346465
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide
CID 51591703

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate (CID 5142851) is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The InChIKey is ZOWGNBGICZZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O7S/c1-32-22-11-20(35(30,31)27-4-6-33-7-5-27)2-3-21(22)26-23(28)16-34-24(29)15-25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,17-19H,4-10,12-16H2,1H3,(H,26,28).
What are the key properties of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate has a molecular weight of 506.62 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 5142851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).