N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide

C11H16N2O2S — CID 17100622

IUPACN-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)NCc1ccco1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)9(14)13-10(16)12-7-8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H2,12,13,14,16)
InChIKeySBECJSBTYORQFL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.82
Rot. Bonds2

About N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide

N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide (PubChem CID 17100622) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
PubChem CID17100622
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)NCc1ccco1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)9(14)13-10(16)12-7-8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H2,12,13,14,16)
InChIKeySBECJSBTYORQFL-UHFFFAOYSA-N
XLogP1.82
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.82
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

N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
CID 58911707
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
CID 17100625
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide (CID 17100622) is N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(=S)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide?
The InChIKey is SBECJSBTYORQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)9(14)13-10(16)12-7-8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide?
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 17100622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).