(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid

C14H16N2O6S — CID 2144801

IUPAC(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H16N2O6S/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)23(20,21)16-7-9-22-10-8-16/h1-6H,7-10H2,(H,15,17)(H,18,19)/b6-5-
InChIKeyFCZQPDJNVDOUNL-WAYWQWQTSA-N
MW340.36 g/mol
LogP0.29
Rot. Bonds5

About (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid

(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid (PubChem CID 2144801) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
PubChem CID2144801
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Name(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H16N2O6S/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)23(20,21)16-7-9-22-10-8-16/h1-6H,7-10H2,(H,15,17)(H,18,19)/b6-5-
InChIKeyFCZQPDJNVDOUNL-WAYWQWQTSA-N
XLogP0.29
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid
CID 2265448
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108163
N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108162
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 1307715
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
(Z)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
CID 92856125

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid (CID 2144801) is (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid?
The InChIKey is FCZQPDJNVDOUNL-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H16N2O6S/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)23(20,21)16-7-9-22-10-8-16/h1-6H,7-10H2,(H,15,17)(H,18,19)/b6-5-.
What are the key properties of (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid?
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid has a molecular weight of 340.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 2144801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).