(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide

C23H23NOS — CID 45051002

IUPAC(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1
InChIInChI=1S/C23H23NOS/c1-3-17-11-8-12-18(4-2)23(17)24-22(25)14-13-21-15-20(16-26-21)19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,25)/b14-13+
InChIKeyAGIZPFARGYNWFL-BUHFOSPRSA-N
MW361.51 g/mol
LogP6.19
Rot. Bonds6

About (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 45051002) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
PubChem CID45051002
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC Name(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1
InChIInChI=1S/C23H23NOS/c1-3-17-11-8-12-18(4-2)23(17)24-22(25)14-13-21-15-20(16-26-21)19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,25)/b14-13+
InChIKeyAGIZPFARGYNWFL-BUHFOSPRSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 170877143
(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18266697
(E)-3-(1-benzyltriazol-4-yl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26692197
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(Z)-N-(2,3-difluorophenyl)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enamide
CID 68712023
(E)-N-(2-ethyl-6-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46615951
(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 6061004
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26880303
(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide
CID 59149613

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide (CID 45051002) is (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1.
What is the InChIKey of (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is AGIZPFARGYNWFL-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H23NOS/c1-3-17-11-8-12-18(4-2)23(17)24-22(25)14-13-21-15-20(16-26-21)19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,25)/b14-13+.
What are the key properties of (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 361.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 45051002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).