2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C24H35N3O5S — CID 55509000

IUPAC2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C24H35N3O5S/c1-4-27(33(30,31)17-24-10-9-18(15-21(24)28)23(24,2)3)16-22(29)25-19-5-7-20(8-6-19)26-11-13-32-14-12-26/h5-8,18H,4,9-17H2,1-3H3,(H,25,29)
InChIKeyCZQIMBKNGPSGPS-UHFFFAOYSA-N
MW477.63 g/mol
LogP2.51
Rot. Bonds8

About 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55509000) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55509000
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C24H35N3O5S/c1-4-27(33(30,31)17-24-10-9-18(15-21(24)28)23(24,2)3)16-22(29)25-19-5-7-20(8-6-19)26-11-13-32-14-12-26/h5-8,18H,4,9-17H2,1-3H3,(H,25,29)
InChIKeyCZQIMBKNGPSGPS-UHFFFAOYSA-N
XLogP2.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770966
7,7-dimethyl-1-[[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 55508760
(1R,4S)-1-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 7312449
7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 3149640
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011

Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55509000) is 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CZQIMBKNGPSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-4-27(33(30,31)17-24-10-9-18(15-21(24)28)23(24,2)3)16-22(29)25-19-5-7-20(8-6-19)26-11-13-32-14-12-26/h5-8,18H,4,9-17H2,1-3H3,(H,25,29).
What are the key properties of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 477.63 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55509000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).