N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide

C13H16N2O2S — CID 2429747

IUPACN-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C13H16N2O2S/c16-11-7-5-10(6-8-11)14-13(18)15-12(17)9-3-1-2-4-9/h5-9,16H,1-4H2,(H2,14,15,17,18)
InChIKeyLMARPOYWGXFMNZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.40
Rot. Bonds2

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

N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 2429747) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide
PubChem CID2429747
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C13H16N2O2S/c16-11-7-5-10(6-8-11)14-13(18)15-12(17)9-3-1-2-4-9/h5-9,16H,1-4H2,(H2,14,15,17,18)
InChIKeyLMARPOYWGXFMNZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
N-(4-hydroxyphenyl)cyclohexanecarboxamide
CID 4056004
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CID 1789996
N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
CID 3133530
N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797142
N-[(4-ethoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 1263837
N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide
CID 2370247
N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 2420739
1,3-Bis(4-hydroxyphenyl)thiourea
CID 805412
N-[(4-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
CID 4472797
Valeranilide, 4'-hydroxy-2-propyl-
CID 204349
2-ethyl-N-(4-hydroxyphenyl)hexanamide
CID 11839397

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide (CID 2429747) is N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide is O=C(NC(=S)Nc1ccc(O)cc1)C1CCCC1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is LMARPOYWGXFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-11-7-5-10(6-8-11)14-13(18)15-12(17)9-3-1-2-4-9/h5-9,16H,1-4H2,(H2,14,15,17,18).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide?
N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 2429747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).