[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate

C19H26N2O6S — CID 2085638

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H26N2O6S/c22-18(14-27-19(23)15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)28(24,25)21-10-12-26-13-11-21/h6-9,15H,1-5,10-14H2,(H,20,22)
InChIKeyDYSCIPGFBGBNOG-UHFFFAOYSA-N
MW410.49 g/mol
LogP1.77
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2085638) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2085638
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H26N2O6S/c22-18(14-27-19(23)15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)28(24,25)21-10-12-26-13-11-21/h6-9,15H,1-5,10-14H2,(H,20,22)
InChIKeyDYSCIPGFBGBNOG-UHFFFAOYSA-N
XLogP1.77
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
Ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
[2-(2-Nitroanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3660278
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
ethyl (1S,3R)-3-({[4-(acetylamino)phenyl]sulfonyl}amino)cyclohexanecarboxylate
CID 657995
2-{[4-(Piperidin-1-ylsulfonyl)anilino]carbonyl}cyclohexanecarboxylic acid
CID 1079847
2-({4-[(4-Methylpiperidin-1-yl)sulfonyl]anilino}carbonyl)cyclohexanecarboxylic acid
CID 1079853
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate (CID 2085638) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is DYSCIPGFBGBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c22-18(14-27-19(23)15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)28(24,25)21-10-12-26-13-11-21/h6-9,15H,1-5,10-14H2,(H,20,22).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 410.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 2085638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).