(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide

C14H14N2OS — CID 59737518

IUPAC(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H14N2OS/c1-2-4-14(17)16-12-9-10(6-7-11(12)15)13-5-3-8-18-13/h2-9H,15H2,1H3,(H,16,17)/b4-2+
InChIKeyNRDVBBGZAFDYAT-DUXPYHPUSA-N
MW258.35 g/mol
LogP3.51
Rot. Bonds3

About (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide

(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide (PubChem CID 59737518) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
PubChem CID59737518
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H14N2OS/c1-2-4-14(17)16-12-9-10(6-7-11(12)15)13-5-3-8-18-13/h2-9H,15H2,1H3,(H,16,17)/b4-2+
InChIKeyNRDVBBGZAFDYAT-DUXPYHPUSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 59736742
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 59736851
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 175831101
[3-[(E)-3-(2-amino-5-thiophen-2-ylanilino)-3-oxoprop-1-enyl]phenyl]methyl-ethoxy-oxophosphanium
CID 140541716
N-(2-amino-5-thiophen-2-ylphenyl)-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]prop-2-enamide
CID 69101116
N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide
CID 150946736
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
(Z)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66894963
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
1-(2-amino-5-thiophen-2-ylphenyl)-3-pyrrolidin-3-ylurea
CID 89157853

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide (CID 59737518) is (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide is C/C=C/C(=O)Nc1cc(-c2cccs2)ccc1N.
What is the InChIKey of (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide?
The InChIKey is NRDVBBGZAFDYAT-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-4-14(17)16-12-9-10(6-7-11(12)15)13-5-3-8-18-13/h2-9H,15H2,1H3,(H,16,17)/b4-2+.
What are the key properties of (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide?
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide has a molecular weight of 258.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide is sourced from PubChem (CID 59737518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).