(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide

C20H16ClNO3S — CID 2101513

IUPAC(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-24-15-5-7-16(8-6-15)25-19-10-4-14(21)13-18(19)22-20(23)11-9-17-3-2-12-26-17/h2-13H,1H3,(H,22,23)/b11-9+
InChIKeyPFFSKIPAJMYZDX-PKNBQFBNSA-N
MW385.87 g/mol
LogP5.85
Rot. Bonds6

About (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 2101513) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID2101513
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC Name(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-24-15-5-7-16(8-6-15)25-19-10-4-14(21)13-18(19)22-20(23)11-9-17-3-2-12-26-17/h2-13H,1H3,(H,22,23)/b11-9+
InChIKeyPFFSKIPAJMYZDX-PKNBQFBNSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 55336540
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653720
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
methyl 4-chloro-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 8909985
(E)-N-(5-chloro-2-phenoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551959
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6234868

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 2101513) is (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PFFSKIPAJMYZDX-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-24-15-5-7-16(8-6-15)25-19-10-4-14(21)13-18(19)22-20(23)11-9-17-3-2-12-26-17/h2-13H,1H3,(H,22,23)/b11-9+.
What are the key properties of (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 385.87 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2101513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).