(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C24H25N3O3S — CID 126568894

IUPAC(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
InChIKeyDXUYKSZGHSMVNI-XBXARRHUSA-N
MW435.55 g/mol
LogP4.30
Rot. Bonds7

About (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568894) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568894
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1
InChIInChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
InChIKeyDXUYKSZGHSMVNI-XBXARRHUSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568894) is (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is COc1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1.
What is the InChIKey of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is DXUYKSZGHSMVNI-XBXARRHUSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+.
What are the key properties of (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 435.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(5-methoxythiophen-2-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).