ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate

C17H19NO5S — CID 102450742

IUPACethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
SMILESCCOC(=O)[C@]1(c2ccoc2)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-3-23-16(19)17(14-8-11-22-12-14)9-10-18(17)24(20,21)15-6-4-13(2)5-7-15/h4-8,11-12H,3,9-10H2,1-2H3/t17-/m1/s1
InChIKeyKMEKAZRWYYBLAI-QGZVFWFLSA-N
MW349.41 g/mol
LogP2.44
Rot. Bonds5

About ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate

ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate (PubChem CID 102450742) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
PubChem CID102450742
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
SMILESCCOC(=O)[C@]1(c2ccoc2)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-3-23-16(19)17(14-8-11-22-12-14)9-10-18(17)24(20,21)15-6-4-13(2)5-7-15/h4-8,11-12H,3,9-10H2,1-2H3/t17-/m1/s1
InChIKeyKMEKAZRWYYBLAI-QGZVFWFLSA-N
XLogP2.44
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methylphenyl)sulfonyl-2-(2-methylpropanoyl)aziridine-2-carboxylate
CID 135068721
diethyl 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 101468739
ethyl 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate
CID 159445983
ethyl (2R)-3-[(2R)-2-acetyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-2-methylpropanoate
CID 90429347
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 7295598
ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate
CID 102584933
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 4-fluoro-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carboxylate
CID 118432206
diethyl 2-(4-methylphenyl)sulfonyl-7-propan-2-ylidene-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 102237132
diethyl 4-methylidene-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3,3-dicarboxylate
CID 15429885
diethyl 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 138967433

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate?
The IUPAC name of ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate (CID 102450742) is ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate is CCOC(=O)[C@]1(c2ccoc2)CCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate?
The InChIKey is KMEKAZRWYYBLAI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-23-16(19)17(14-8-11-22-12-14)9-10-18(17)24(20,21)15-6-4-13(2)5-7-15/h4-8,11-12H,3,9-10H2,1-2H3/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate?
ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate is sourced from PubChem (CID 102450742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).