(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

C19H22N2O5S2 — CID 6215014

IUPAC(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O5S2/c1-2-26-18-7-6-16(28(23,24)21-9-11-25-12-10-21)14-17(18)20-19(22)8-5-15-4-3-13-27-15/h3-8,13-14H,2,9-12H2,1H3,(H,20,22)/b8-5+
InChIKeyIIDHFISPJIUNIZ-VMPITWQZSA-N
MW422.53 g/mol
LogP2.82
Rot. Bonds7

About (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6215014) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6215014
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O5S2/c1-2-26-18-7-6-16(28(23,24)21-9-11-25-12-10-21)14-17(18)20-19(22)8-5-15-4-3-13-27-15/h3-8,13-14H,2,9-12H2,1H3,(H,20,22)/b8-5+
InChIKeyIIDHFISPJIUNIZ-VMPITWQZSA-N
XLogP2.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 30843558
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 4797053
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6213936
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 26848715

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 6215014) is (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IIDHFISPJIUNIZ-VMPITWQZSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-2-26-18-7-6-16(28(23,24)21-9-11-25-12-10-21)14-17(18)20-19(22)8-5-15-4-3-13-27-15/h3-8,13-14H,2,9-12H2,1H3,(H,20,22)/b8-5+.
What are the key properties of (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 422.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6215014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).