N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide

C13H14N2O2S — CID 916714

IUPACN-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCC(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
InChIInChI=1S/C13H14N2O2S/c1-8(16)10-3-2-4-11(7-10)14-13(18)15-12(17)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,14,15,17,18)
InChIKeyTVOLVZQDIWCMGN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.11
Rot. Bonds3

About N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide

N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 916714) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID916714
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCC(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1
InChIInChI=1S/C13H14N2O2S/c1-8(16)10-3-2-4-11(7-10)14-13(18)15-12(17)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,14,15,17,18)
InChIKeyTVOLVZQDIWCMGN-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.11
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

3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683
3-(cyclopropanecarbonylcarbamothioylamino)-N-ethylbenzamide
CID 17230908
N-tert-butyl-3-(cyclohexanecarbonylcarbamothioylamino)benzamide
CID 28639674
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918692
N-[[3-(butanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17187694
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
(E)-3-[3-(cyclohexanecarbonylcarbamothioylamino)phenyl]prop-2-enoic acid
CID 91688623
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1209253

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide (CID 916714) is N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide is CC(=O)c1cccc(NC(=S)NC(=O)C2CC2)c1.
What is the InChIKey of N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is TVOLVZQDIWCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8(16)10-3-2-4-11(7-10)14-13(18)15-12(17)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,14,15,17,18).
What are the key properties of N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 916714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).