(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide

C17H19NOS2 — CID 162412365

IUPAC(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide
SMILESO=C(NC1CCCCC1)/C(=C/c1cccs1)c1cccs1
InChIInChI=1S/C17H19NOS2/c19-17(18-13-6-2-1-3-7-13)15(16-9-5-11-21-16)12-14-8-4-10-20-14/h4-5,8-13H,1-3,6-7H2,(H,18,19)/b15-12+
InChIKeyLESFORCZGLTQAF-NTCAYCPXSA-N
MW317.48 g/mol
LogP4.80
Rot. Bonds4

About (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide

(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide (PubChem CID 162412365) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide
PubChem CID162412365
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide
SMILESO=C(NC1CCCCC1)/C(=C/c1cccs1)c1cccs1
InChIInChI=1S/C17H19NOS2/c19-17(18-13-6-2-1-3-7-13)15(16-9-5-11-21-16)12-14-8-4-10-20-14/h4-5,8-13H,1-3,6-7H2,(H,18,19)/b15-12+
InChIKeyLESFORCZGLTQAF-NTCAYCPXSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide (CID 162412365) is (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide is O=C(NC1CCCCC1)/C(=C/c1cccs1)c1cccs1.
What is the InChIKey of (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide?
The InChIKey is LESFORCZGLTQAF-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H19NOS2/c19-17(18-13-6-2-1-3-7-13)15(16-9-5-11-21-16)12-14-8-4-10-20-14/h4-5,8-13H,1-3,6-7H2,(H,18,19)/b15-12+.
What are the key properties of (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide?
(Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide has a molecular weight of 317.48 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclohexyl-2,3-dithiophen-2-ylprop-2-enamide is sourced from PubChem (CID 162412365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).