[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

C17H22N2O6S — CID 4181266

IUPAC[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O6S/c1-12(25-17(21)13-5-6-13)16(20)18-14-3-2-4-15(11-14)26(22,23)19-7-9-24-10-8-19/h2-4,11-13H,5-10H2,1H3,(H,18,20)
InChIKeyMTFHVHKDBMSZNR-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.99
Rot. Bonds6

About [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (PubChem CID 4181266) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
PubChem CID4181266
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O6S/c1-12(25-17(21)13-5-6-13)16(20)18-14-3-2-4-15(11-14)26(22,23)19-7-9-24-10-8-19/h2-4,11-13H,5-10H2,1H3,(H,18,20)
InChIKeyMTFHVHKDBMSZNR-UHFFFAOYSA-N
XLogP0.99
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 3155133
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
CID 7926212
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
[2-(4-Methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 2999502
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3446135
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4036552
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-[4-Chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 4645455
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7873214
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide
CID 8932874
Ethyl 1-[2-[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 24816719

Frequently Asked Questions

What is the IUPAC name of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (CID 4181266) is [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate is CC(OC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The InChIKey is MTFHVHKDBMSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-12(25-17(21)13-5-6-13)16(20)18-14-3-2-4-15(11-14)26(22,23)19-7-9-24-10-8-19/h2-4,11-13H,5-10H2,1H3,(H,18,20).
What are the key properties of [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate has a molecular weight of 382.44 g/mol, XLogP of 0.99, 6 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] cyclopropanecarboxylate is sourced from PubChem (CID 4181266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).