[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate

C18H24N2O7S — CID 24686157

IUPAC[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1CCC1
InChIInChI=1S/C18H24N2O7S/c1-25-16-6-5-14(28(23,24)20-7-9-26-10-8-20)11-15(16)19-17(21)12-27-18(22)13-3-2-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,19,21)
InChIKeyGSZPNFPUPOIIGZ-UHFFFAOYSA-N
MW412.46 g/mol
LogP1.00
Rot. Bonds7

About [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate

[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 24686157) has the molecular formula C18H24N2O7S and a molecular weight of 412.46 g/mol. Its IUPAC name is [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID24686157
Molecular FormulaC18H24N2O7S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1CCC1
InChIInChI=1S/C18H24N2O7S/c1-25-16-6-5-14(28(23,24)20-7-9-26-10-8-20)11-15(16)19-17(21)12-27-18(22)13-3-2-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,19,21)
InChIKeyGSZPNFPUPOIIGZ-UHFFFAOYSA-N
XLogP1.00
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717539
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
trans-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777147
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673318
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 24686157) is [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1CCC1.
What is the InChIKey of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is GSZPNFPUPOIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7S/c1-25-16-6-5-14(28(23,24)20-7-9-26-10-8-20)11-15(16)19-17(21)12-27-18(22)13-3-2-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,19,21).
What are the key properties of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 412.46 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 24686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).