N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide

C15H19N3O2S — CID 1263199

IUPACN-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(19)16-12-6-8-13(9-7-12)17-15(21)18-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyJSXJKXFAARITCR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.65
Rot. Bonds3

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

N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 1263199) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide
PubChem CID1263199
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(19)16-12-6-8-13(9-7-12)17-15(21)18-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyJSXJKXFAARITCR-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide (CID 1263199) is N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide is CC(=O)Nc1ccc(NC(=S)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is JSXJKXFAARITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(19)16-12-6-8-13(9-7-12)17-15(21)18-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide?
N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.65, 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]cyclopentanecarboxamide is sourced from PubChem (CID 1263199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).