4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide

C15H16N2O2S — CID 61470814

IUPAC4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(9-13-3-2-8-19-13)17-15(18)12-6-4-11(5-7-12)14(16)20/h2-8,10H,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyKPCVRLVTIUFOKU-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.27
Rot. Bonds5

About 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide

4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 61470814) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID61470814
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(9-13-3-2-8-19-13)17-15(18)12-6-4-11(5-7-12)14(16)20/h2-8,10H,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyKPCVRLVTIUFOKU-UHFFFAOYSA-N
XLogP2.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.27
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-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 61470814) is 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is KPCVRLVTIUFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(9-13-3-2-8-19-13)17-15(18)12-6-4-11(5-7-12)14(16)20/h2-8,10H,9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide?
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 61470814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).