(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide

C17H20N2OS — CID 97435428

IUPAC(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide
SMILESCN(C)CCN(C(=O)/C=C\c1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-18(2)11-12-19(16-6-4-3-5-7-16)17(20)9-8-15-10-13-21-14-15/h3-10,13-14H,11-12H2,1-2H3/b9-8-
InChIKeyLVQJINNDTOJSCW-HJWRWDBZSA-N
MW300.43 g/mol
LogP3.36
Rot. Bonds6

About (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide

(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide (PubChem CID 97435428) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide
PubChem CID97435428
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide
SMILESCN(C)CCN(C(=O)/C=C\c1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-18(2)11-12-19(16-6-4-3-5-7-16)17(20)9-8-15-10-13-21-14-15/h3-10,13-14H,11-12H2,1-2H3/b9-8-
InChIKeyLVQJINNDTOJSCW-HJWRWDBZSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide (CID 97435428) is (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide is CN(C)CCN(C(=O)/C=C\c1ccsc1)c1ccccc1.
What is the InChIKey of (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide?
The InChIKey is LVQJINNDTOJSCW-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18(2)11-12-19(16-6-4-3-5-7-16)17(20)9-8-15-10-13-21-14-15/h3-10,13-14H,11-12H2,1-2H3/b9-8-.
What are the key properties of (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide?
(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide has a molecular weight of 300.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 97435428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).