2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide

C13H20N2O2S — CID 113270559

IUPAC2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCCC(C)(C(=O)NC(C)c1ccc(C)o1)C(N)=S
InChIInChI=1S/C13H20N2O2S/c1-5-13(4,11(14)18)12(16)15-9(3)10-7-6-8(2)17-10/h6-7,9H,5H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyCTTAJBKUQJXWMT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.47
Rot. Bonds5

About 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide

2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide (PubChem CID 113270559) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
PubChem CID113270559
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCCC(C)(C(=O)NC(C)c1ccc(C)o1)C(N)=S
InChIInChI=1S/C13H20N2O2S/c1-5-13(4,11(14)18)12(16)15-9(3)10-7-6-8(2)17-10/h6-7,9H,5H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyCTTAJBKUQJXWMT-UHFFFAOYSA-N
XLogP2.47
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2-carbamothioyl-2-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 114291939
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 76921566
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
1-amino-3-[1-(5-methylfuran-2-yl)ethyl]thiourea
CID 61480392
2-carbamothioyl-N-(2-fluorophenyl)-2-methylbutanamide
CID 114291833
N-(2-bromo-4-methylphenyl)-2-carbamothioyl-2-methylbutanamide
CID 113270436
2-[1-(5-methylfuran-2-yl)ethylamino]oxyacetamide
CID 112672888
2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide (CID 113270559) is 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide is CCC(C)(C(=O)NC(C)c1ccc(C)o1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The InChIKey is CTTAJBKUQJXWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-13(4,11(14)18)12(16)15-9(3)10-7-6-8(2)17-10/h6-7,9H,5H2,1-4H3,(H2,14,18)(H,15,16).
What are the key properties of 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide has a molecular weight of 268.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 113270559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).