(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C16H17N3O4S2 — CID 6219265

IUPAC(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1
InChIInChI=1S/C16H17N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-7,12H,8-11H2,(H,17,18,20)/b6-3+
InChIKeyLQLARLMVHUYSEL-ZZXKWVIFSA-N
MW379.46 g/mol
LogP1.82
Rot. Bonds5

About (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 6219265) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID6219265
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1
InChIInChI=1S/C16H17N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-7,12H,8-11H2,(H,17,18,20)/b6-3+
InChIKeyLQLARLMVHUYSEL-ZZXKWVIFSA-N
XLogP1.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.82
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

Mls000757107
CID 324088
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N-Thiazol-2-YL-3-(toluene-4-sulfonylamino)-propionamide
CID 854185
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4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
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(E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6255073
3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1102157
4-fluoro-3-(4-morpholinylsulfonyl)-N-1,3-thiazol-2-ylbenzamide
CID 3942008
4-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 6219265) is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1.
What is the InChIKey of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is LQLARLMVHUYSEL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c20-15(18-16-17-7-12-24-16)6-3-13-1-4-14(5-2-13)25(21,22)19-8-10-23-11-9-19/h1-7,12H,8-11H2,(H,17,18,20)/b6-3+.
What are the key properties of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 6219265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).