(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate

C20H27NO5S — CID 11932936

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESO=C(C[C@H]1C[C@H]2CC[C@@H]1C2)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H27NO5S/c22-20(13-18-11-15-4-5-17(18)10-15)26-14-16-2-1-3-19(12-16)27(23,24)21-6-8-25-9-7-21/h1-3,12,15,17-18H,4-11,13-14H2/t15-,17+,18+/m0/s1
InChIKeyQCKZMVNFOSQGDN-CGTJXYLNSA-N
MW393.51 g/mol
LogP2.58
Rot. Bonds6

About (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate

(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 11932936) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID11932936
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESO=C(C[C@H]1C[C@H]2CC[C@@H]1C2)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H27NO5S/c22-20(13-18-11-15-4-5-17(18)10-15)26-14-16-2-1-3-19(12-16)27(23,24)21-6-8-25-9-7-21/h1-3,12,15,17-18H,4-11,13-14H2/t15-,17+,18+/m0/s1
InChIKeyQCKZMVNFOSQGDN-CGTJXYLNSA-N
XLogP2.58
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate with MolForge

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885940
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 11914344
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate (CID 11932936) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate is O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is QCKZMVNFOSQGDN-CGTJXYLNSA-N. The full InChI is InChI=1S/C20H27NO5S/c22-20(13-18-11-15-4-5-17(18)10-15)26-14-16-2-1-3-19(12-16)27(23,24)21-6-8-25-9-7-21/h1-3,12,15,17-18H,4-11,13-14H2/t15-,17+,18+/m0/s1.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 393.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 11932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).