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

C17H17ClN2OS2 — CID 74028889

IUPACN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide
SMILESS=C(C=C(c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2OS2/c18-13-3-5-14(6-4-13)19-17(22)12-15(16-2-1-11-23-16)20-7-9-21-10-8-20/h1-6,11-12H,7-10H2,(H,19,22)
InChIKeyIEJZBTLXJKOUSL-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.51
Rot. Bonds4

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

N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide (PubChem CID 74028889) has the molecular formula C17H17ClN2OS2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide
PubChem CID74028889
Molecular FormulaC17H17ClN2OS2
Molecular Weight364.92 g/mol
Exact Mass364.05
IUPAC NameN-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide
SMILESS=C(C=C(c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2OS2/c18-13-3-5-14(6-4-13)19-17(22)12-15(16-2-1-11-23-16)20-7-9-21-10-8-20/h1-6,11-12H,7-10H2,(H,19,22)
InChIKeyIEJZBTLXJKOUSL-UHFFFAOYSA-N
XLogP4.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide?
The IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide (CID 74028889) is N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide?
The canonical SMILES for N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide is S=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-enethioamide?
The InChIKey is IEJZBTLXJKOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS2/c18-13-3-5-14(6-4-13)19-17(22)12-15(16-2-1-11-23-16)20-7-9-21-10-8-20/h1-6,11-12H,7-10H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide?
N-(4-chlorophenyl)-3-morpholin-4-yl-3-thiophen-2-ylprop-2-enethioamide has a molecular weight of 364.92 g/mol, XLogP of 4.51, 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-enethioamide is sourced from PubChem (CID 74028889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).