N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide

C13H15N3O2S — CID 833425

IUPACN-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-8(17)14-10-4-6-11(7-5-10)15-13(19)16-12(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyACCCRTXBTUFGHI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.87
Rot. Bonds3

About N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 833425) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID833425
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-8(17)14-10-4-6-11(7-5-10)15-13(19)16-12(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyACCCRTXBTUFGHI-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Merbarone
CID 4990817
1-Acetyl-3-phenyl-2-thiourea
CID 853886
N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 763210
N-((Phenylamino)carbonyl)acetamide
CID 66877
N-[(2-fluorophenyl)carbamothioyl]acetamide
CID 2235536
6-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 3239037
N-{4-[(anilinocarbonothioyl)amino]phenyl}acetamide
CID 680802
6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 1164574
N-{[(2-fluorophenyl)amino]carbonothioyl}-2-methylpropanamide
CID 801621
N-{[(2-fluorophenyl)amino]carbonothioyl}-2,2-dimethylpropanamide
CID 802282
N-{[(4-fluorophenyl)amino]carbonothioyl}-2,2-dimethylpropanamide
CID 802662
N-[(2-fluorophenyl)carbamothioyl]butanamide
CID 823795

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide (CID 833425) is N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is ACCCRTXBTUFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(17)14-10-4-6-11(7-5-10)15-13(19)16-12(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 833425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).