N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide

C17H17ClN2O2S — CID 72962050

IUPACN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=C(c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-17(21)12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyGJKPQIHFYCEIJB-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.71
Rot. Bonds4

About N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide

N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 72962050) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID72962050
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=C(c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-17(21)12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyGJKPQIHFYCEIJB-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 1075548
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CID 755952
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CID 1117949
CID 1117949
CID 4257356
CID 4257356
CID 4800937
CID 4800937
CID 952677
CID 952677
CID 9978767
CID 9978767
CID 720218
CID 720218
CID 5073032
CID 5073032
CID 5093320
CID 5093320
CID 9551601
CID 9551601
CID 53325756
CID 53325756

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide (CID 72962050) is N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide is O=C(C=C(c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GJKPQIHFYCEIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-17(21)12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide?
N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 348.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 72962050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).