(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C18H20N2O4S2 — CID 9403990

IUPAC(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H20N2O4S2/c1-14-5-6-16(25-14)7-8-18(21)19-15-3-2-4-17(13-15)26(22,23)20-9-11-24-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)/b8-7+
InChIKeyBWWQIAOHXUDGCK-BQYQJAHWSA-N
MW392.50 g/mol
LogP2.73
Rot. Bonds5

About (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 9403990) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID9403990
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H20N2O4S2/c1-14-5-6-16(25-14)7-8-18(21)19-15-3-2-4-17(13-15)26(22,23)20-9-11-24-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)/b8-7+
InChIKeyBWWQIAOHXUDGCK-BQYQJAHWSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 17371690
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26249588
(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789
4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 154772070
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
(E)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylprop-2-enamide
CID 60582072
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 9403990) is (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is BWWQIAOHXUDGCK-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-14-5-6-16(25-14)7-8-18(21)19-15-3-2-4-17(13-15)26(22,23)20-9-11-24-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)/b8-7+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 392.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 9403990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).