N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide

C14H18N2O2S — CID 2420739

IUPACN-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c17-12-8-4-7-11(9-12)15-14(19)16-13(18)10-5-2-1-3-6-10/h4,7-10,17H,1-3,5-6H2,(H2,15,16,18,19)
InChIKeyZPOMSKFBNVIJMV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.79
Rot. Bonds2

About N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide

N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 2420739) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID2420739
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c17-12-8-4-7-11(9-12)15-14(19)16-13(18)10-5-2-1-3-6-10/h4,7-10,17H,1-3,5-6H2,(H2,15,16,18,19)
InChIKeyZPOMSKFBNVIJMV-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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 5017187
N-[(3-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
CID 4658353
N-(3-hydroxyphenyl)-2-phenylacetamide
CID 312542
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(m-hydroxyphenyl)-4,4,6-trimethyl-
CID 762712
Hexananilide, 3'-hydroxy-2-methyl-
CID 41578
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
N-[(4-hydroxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2429747
N-(3-methoxyphenyl)-N'-(phenylacetyl)thiourea
CID 2904298
N-[(4-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
CID 4472797
1,3-Bis(3-hydroxyphenyl)thiourea
CID 3000727
1-Benzyl-3-(3-hydroxyphenyl)thiourea
CID 23796108

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide (CID 2420739) is N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide is O=C(NC(=S)Nc1cccc(O)c1)C1CCCCC1.
What is the InChIKey of N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is ZPOMSKFBNVIJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-8-4-7-11(9-12)15-14(19)16-13(18)10-5-2-1-3-6-10/h4,7-10,17H,1-3,5-6H2,(H2,15,16,18,19).
What are the key properties of N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(3-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-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 2420739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).