N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

C12H13NOS2 — CID 5105834

IUPACN-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C12H13NOS2/c1-9(8-10-4-2-6-15-10)13-12(14)11-5-3-7-16-11/h2-7,9H,8H2,1H3,(H,13,14)
InChIKeyLGLUFWBZEPUINS-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.17
Rot. Bonds4

About N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 5105834) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID5105834
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C12H13NOS2/c1-9(8-10-4-2-6-15-10)13-12(14)11-5-3-7-16-11/h2-7,9H,8H2,1H3,(H,13,14)
InChIKeyLGLUFWBZEPUINS-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (CID 5105834) is N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is CC(Cc1cccs1)NC(=O)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is LGLUFWBZEPUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-9(8-10-4-2-6-15-10)13-12(14)11-5-3-7-16-11/h2-7,9H,8H2,1H3,(H,13,14).
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 251.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 5105834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).