(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

C19H15N3O2S2 — CID 1028188

IUPAC(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1
InChIInChI=1S/C19H15N3O2S2/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+
InChIKeyJWYIVJUJWDLXNP-GFULKKFKSA-N
MW381.48 g/mol
LogP4.51
Rot. Bonds6

About (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (PubChem CID 1028188) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
PubChem CID1028188
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1
InChIInChI=1S/C19H15N3O2S2/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+
InChIKeyJWYIVJUJWDLXNP-GFULKKFKSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (CID 1028188) is (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The InChIKey is JWYIVJUJWDLXNP-GFULKKFKSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+.
What are the key properties of (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 1028188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).