N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide

C11H16N2OS2 — CID 89224368

IUPACN-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)NC(=S)NC(=O)Cc1cccs1
InChIInChI=1S/C11H16N2OS2/c1-11(2,3)13-10(15)12-9(14)7-8-5-4-6-16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyGLDFZEBIMOLNBW-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.08
Rot. Bonds2

About N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide

N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide (PubChem CID 89224368) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide
PubChem CID89224368
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)NC(=S)NC(=O)Cc1cccs1
InChIInChI=1S/C11H16N2OS2/c1-11(2,3)13-10(15)12-9(14)7-8-5-4-6-16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyGLDFZEBIMOLNBW-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 110475965
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-pyridin-4-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 110870392
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
CID 88576704
N-(1-aminooxy-2-methylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 39247410
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 107867609
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide (CID 89224368) is N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide is CC(C)(C)NC(=S)NC(=O)Cc1cccs1.
What is the InChIKey of N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide?
The InChIKey is GLDFZEBIMOLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-11(2,3)13-10(15)12-9(14)7-8-5-4-6-16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide?
N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide has a molecular weight of 256.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 89224368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).