(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide

C17H20N2OS — CID 87037908

IUPAC(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide
SMILESCC(C)CC(NC(=O)/C=C/c1ccccn1)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-15(16-7-5-11-21-16)19-17(20)9-8-14-6-3-4-10-18-14/h3-11,13,15H,12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyJWGOKKQZNSYTGK-CMDGGOBGSA-N
MW300.43 g/mol
LogP4.06
Rot. Bonds6

About (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 87037908) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID87037908
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide
SMILESCC(C)CC(NC(=O)/C=C/c1ccccn1)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-15(16-7-5-11-21-16)19-17(20)9-8-14-6-3-4-10-18-14/h3-11,13,15H,12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyJWGOKKQZNSYTGK-CMDGGOBGSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide
CID 55923389
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
(E)-N-(3-methyl-1-phenylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16600272
N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide
CID 71890538
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide
CID 46613262
N-(3-methyl-1-thiophen-2-ylbutyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55921712
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
CID 51966867
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 134033581

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide (CID 87037908) is (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide is CC(C)CC(NC(=O)/C=C/c1ccccn1)c1cccs1.
What is the InChIKey of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is JWGOKKQZNSYTGK-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)12-15(16-7-5-11-21-16)19-17(20)9-8-14-6-3-4-10-18-14/h3-11,13,15H,12H2,1-2H3,(H,19,20)/b9-8+.
What are the key properties of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 300.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 87037908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).