N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide

C15H16N2OS — CID 3336553

IUPACN-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)c1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)13-7-5-12(6-8-13)16-15(18)10-9-14-4-3-11-19-14/h3-11H,1-2H3,(H,16,18)
InChIKeyMRMAKDHEDFWANT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide

N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 3336553) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID3336553
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)c1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)13-7-5-12(6-8-13)16-15(18)10-9-14-4-3-11-19-14/h3-11H,1-2H3,(H,16,18)
InChIKeyMRMAKDHEDFWANT-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 52937238
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 3336553) is N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide is CN(C)c1ccc(NC(=O)C=Cc2cccs2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MRMAKDHEDFWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(2)13-7-5-12(6-8-13)16-15(18)10-9-14-4-3-11-19-14/h3-11H,1-2H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 272.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 3336553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).