1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide

C18H16N2O2S2 — CID 1292973

IUPAC1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C18H16N2O2S2/c21-17(19-11-13-5-3-9-23-13)15-7-1-2-8-16(15)18(22)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyHNKKCHUZVPYHLY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.67
Rot. Bonds6

About 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide

1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide (PubChem CID 1292973) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide
PubChem CID1292973
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C18H16N2O2S2/c21-17(19-11-13-5-3-9-23-13)15-7-1-2-8-16(15)18(22)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyHNKKCHUZVPYHLY-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide (CID 1292973) is 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide is O=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide?
The InChIKey is HNKKCHUZVPYHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-17(19-11-13-5-3-9-23-13)15-7-1-2-8-16(15)18(22)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide?
1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(thiophen-2-ylmethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 1292973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).