N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide

C18H20N2O3S — CID 71961114

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC1CCCCC1N1C(=O)CSC1=O
InChIInChI=1S/C18H20N2O3S/c21-16(11-10-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-17(22)12-24-18(20)23/h1-3,6-7,10-11,14-15H,4-5,8-9,12H2,(H,19,21)
InChIKeyLCMPPCNYBOPJLU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide (PubChem CID 71961114) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide
PubChem CID71961114
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC1CCCCC1N1C(=O)CSC1=O
InChIInChI=1S/C18H20N2O3S/c21-16(11-10-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-17(22)12-24-18(20)23/h1-3,6-7,10-11,14-15H,4-5,8-9,12H2,(H,19,21)
InChIKeyLCMPPCNYBOPJLU-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide (CID 71961114) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NC1CCCCC1N1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide?
The InChIKey is LCMPPCNYBOPJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-16(11-10-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-17(22)12-24-18(20)23/h1-3,6-7,10-11,14-15H,4-5,8-9,12H2,(H,19,21).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71961114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).