(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide

C19H20N2O3S — CID 143043721

IUPAC(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide
SMILESCOc1ccc(CNC(=O)/C(S)=C/C=C/c2ccccn2)c(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-23-16-10-9-14(17(12-16)24-2)13-21-19(22)18(25)8-5-7-15-6-3-4-11-20-15/h3-12,25H,13H2,1-2H3,(H,21,22)/b7-5+,18-8-
InChIKeyYXAKRBFWYCATMM-FJJFEQPVSA-N
MW356.45 g/mol
LogP3.24
Rot. Bonds7

About (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide

(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide (PubChem CID 143043721) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide
PubChem CID143043721
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide
SMILESCOc1ccc(CNC(=O)/C(S)=C/C=C/c2ccccn2)c(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-23-16-10-9-14(17(12-16)24-2)13-21-19(22)18(25)8-5-7-15-6-3-4-11-20-15/h3-12,25H,13H2,1-2H3,(H,21,22)/b7-5+,18-8-
InChIKeyYXAKRBFWYCATMM-FJJFEQPVSA-N
XLogP3.24
TPSA60.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-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-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 11221120
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-[3-[(2,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599492
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide (CID 143043721) is (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide is COc1ccc(CNC(=O)/C(S)=C/C=C/c2ccccn2)c(OC)c1.
What is the InChIKey of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide?
The InChIKey is YXAKRBFWYCATMM-FJJFEQPVSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-16-10-9-14(17(12-16)24-2)13-21-19(22)18(25)8-5-7-15-6-3-4-11-20-15/h3-12,25H,13H2,1-2H3,(H,21,22)/b7-5+,18-8-.
What are the key properties of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide?
(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide has a molecular weight of 356.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide is sourced from PubChem (CID 143043721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).