N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide

C14H14N2O2S2 — CID 2804898

IUPACN,N'-bis(thiophen-2-ylmethyl)but-2-enediamide
SMILESO=C(C=CC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C14H14N2O2S2/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyMMLGFXAGMNKILW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.30
Rot. Bonds6

About N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide

N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide (PubChem CID 2804898) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(thiophen-2-ylmethyl)but-2-enediamide
PubChem CID2804898
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN,N'-bis(thiophen-2-ylmethyl)but-2-enediamide
SMILESO=C(C=CC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C14H14N2O2S2/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyMMLGFXAGMNKILW-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
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 N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide?
The IUPAC name of N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide (CID 2804898) is N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide.
What is the SMILES notation for N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide?
The canonical SMILES for N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide is O=C(C=CC(=O)NCc1cccs1)NCc1cccs1.
What is the InChIKey of N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide?
The InChIKey is MMLGFXAGMNKILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h1-8H,9-10H2,(H,15,17)(H,16,18).
What are the key properties of N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide?
N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide has a molecular weight of 306.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide is sourced from PubChem (CID 2804898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).