N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide

C14H18N2O2S — CID 2420738

IUPACN-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2,(H2,15,16,18,19)
InChIKeyDFGGXFSVAHIZIA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.79
Rot. Bonds2

About N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide

N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 2420738) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID2420738
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2,(H2,15,16,18,19)
InChIKeyDFGGXFSVAHIZIA-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide (CID 2420738) is N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide is O=C(NC(=S)Nc1ccccc1O)C1CCCCC1.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is DFGGXFSVAHIZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2,(H2,15,16,18,19).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 2420738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).