N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide

C18H19NO2S — CID 76858086

IUPACN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2S/c1-3-4-5-8-18(20)19(14-17-7-6-13-22-17)15-9-11-16(21-2)12-10-15/h3-13H,14H2,1-2H3
InChIKeyRAEORUPPUJZMFD-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.42
Rot. Bonds6

About N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide

N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide (PubChem CID 76858086) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
PubChem CID76858086
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2S/c1-3-4-5-8-18(20)19(14-17-7-6-13-22-17)15-9-11-16(21-2)12-10-15/h3-13H,14H2,1-2H3
InChIKeyRAEORUPPUJZMFD-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8683482
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide (CID 76858086) is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide is CC=CC=CC(=O)N(Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The InChIKey is RAEORUPPUJZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-3-4-5-8-18(20)19(14-17-7-6-13-22-17)15-9-11-16(21-2)12-10-15/h3-13H,14H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide has a molecular weight of 313.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide is sourced from PubChem (CID 76858086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).