1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide

C16H18N2O2S2 — CID 171722281

IUPAC1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccsc1)C1CCC(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C16H18N2O2S2/c19-15(17-13-5-7-21-9-13)11-1-2-12(4-3-11)16(20)18-14-6-8-22-10-14/h5-12H,1-4H2,(H,17,19)(H,18,20)
InChIKeyJGAQCRPSBAKUBN-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.19
Rot. Bonds4

About 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide

1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 171722281) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID171722281
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccsc1)C1CCC(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C16H18N2O2S2/c19-15(17-13-5-7-21-9-13)11-1-2-12(4-3-11)16(20)18-14-6-8-22-10-14/h5-12H,1-4H2,(H,17,19)(H,18,20)
InChIKeyJGAQCRPSBAKUBN-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide (CID 171722281) is 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide is O=C(Nc1ccsc1)C1CCC(C(=O)Nc2ccsc2)CC1.
What is the InChIKey of 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is JGAQCRPSBAKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c19-15(17-13-5-7-21-9-13)11-1-2-12(4-3-11)16(20)18-14-6-8-22-10-14/h5-12H,1-4H2,(H,17,19)(H,18,20).
What are the key properties of 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 334.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 171722281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).