[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C22H30N2O6S — CID 24982923

IUPAC[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(OC(=O)CC1CC2CCC1C2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H30N2O6S/c1-15(30-21(25)13-18-12-16-5-6-17(18)11-16)22(26)23-19-3-2-4-20(14-19)31(27,28)24-7-9-29-10-8-24/h2-4,14-18H,5-13H2,1H3,(H,23,26)
InChIKeyDFRIGQFLCYNRJR-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.40
Rot. Bonds7

About [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 24982923) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID24982923
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(OC(=O)CC1CC2CCC1C2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H30N2O6S/c1-15(30-21(25)13-18-12-16-5-6-17(18)11-16)22(26)23-19-3-2-4-20(14-19)31(27,28)24-7-9-29-10-8-24/h2-4,14-18H,5-13H2,1H3,(H,23,26)
InChIKeyDFRIGQFLCYNRJR-UHFFFAOYSA-N
XLogP2.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4004588
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4591220
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclohexanecarboxylate
CID 16283110
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate
CID 16523089
(1S,2S,4R)-1,3,3-trimethyl-N-(4-methyl-3-(morpholinosulfonyl)phenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 24884501

Frequently Asked Questions

What is the IUPAC name of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 24982923) is [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is CC(OC(=O)CC1CC2CCC1C2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is DFRIGQFLCYNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-15(30-21(25)13-18-12-16-5-6-17(18)11-16)22(26)23-19-3-2-4-20(14-19)31(27,28)24-7-9-29-10-8-24/h2-4,14-18H,5-13H2,1H3,(H,23,26).
What are the key properties of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 450.56 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 24982923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).