(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide

C19H23NO2S2 — CID 163925455

IUPAC(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide
SMILESCC(=O)/C(=C(\C(N)=O)c1c(C)sc(C)c1C)c1c(C)sc(C)c1C
InChIInChI=1S/C19H23NO2S2/c1-8-11(4)23-13(6)15(8)17(10(3)21)18(19(20)22)16-9(2)12(5)24-14(16)7/h1-7H3,(H2,20,22)/b18-17+
InChIKeyRECFCRFMOBEQCT-ISLYRVAYSA-N
MW361.53 g/mol
LogP4.65
Rot. Bonds4

About (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide

(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide (PubChem CID 163925455) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide
PubChem CID163925455
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide
SMILESCC(=O)/C(=C(\C(N)=O)c1c(C)sc(C)c1C)c1c(C)sc(C)c1C
InChIInChI=1S/C19H23NO2S2/c1-8-11(4)23-13(6)15(8)17(10(3)21)18(19(20)22)16-9(2)12(5)24-14(16)7/h1-7H3,(H2,20,22)/b18-17+
InChIKeyRECFCRFMOBEQCT-ISLYRVAYSA-N
XLogP4.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide?
The IUPAC name of (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide (CID 163925455) is (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide.
What is the SMILES notation for (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide?
The canonical SMILES for (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide is CC(=O)/C(=C(\C(N)=O)c1c(C)sc(C)c1C)c1c(C)sc(C)c1C.
What is the InChIKey of (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide?
The InChIKey is RECFCRFMOBEQCT-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-8-11(4)23-13(6)15(8)17(10(3)21)18(19(20)22)16-9(2)12(5)24-14(16)7/h1-7H3,(H2,20,22)/b18-17+.
What are the key properties of (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide?
(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide has a molecular weight of 361.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide is sourced from PubChem (CID 163925455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).