(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C20H18N2OS — CID 51123745

IUPAC(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-22(15-17-9-5-6-14-21-17)20(23)13-11-18-10-12-19(24-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/b13-11+
InChIKeyFNCHAMHOVJOLQS-ACCUITESSA-N
MW334.44 g/mol
LogP4.48
Rot. Bonds5

About (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 51123745) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID51123745
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-22(15-17-9-5-6-14-21-17)20(23)13-11-18-10-12-19(24-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/b13-11+
InChIKeyFNCHAMHOVJOLQS-ACCUITESSA-N
XLogP4.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.48
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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Related Compounds

(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 38739907
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 26444182
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
(1-amino-1-oxopropan-2-yl) (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 47009511
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962508
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
CID 69258575
CID 69258575
3-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76917933
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 51123745) is (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is CN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is FNCHAMHOVJOLQS-ACCUITESSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-22(15-17-9-5-6-14-21-17)20(23)13-11-18-10-12-19(24-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/b13-11+.
What are the key properties of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 334.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 51123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).