N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide

C17H18N2O2S — CID 2396710

IUPACN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)C1CCCC1
InChIInChI=1S/C17H18N2O2S/c20-15-10-4-7-12-13(15)8-3-9-14(12)18-17(22)19-16(21)11-5-1-2-6-11/h3-4,7-11,20H,1-2,5-6H2,(H2,18,19,21,22)
InChIKeyDNIKBYCCDIPXNG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.55
Rot. Bonds2

About N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide

N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 2396710) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
PubChem CID2396710
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)C1CCCC1
InChIInChI=1S/C17H18N2O2S/c20-15-10-4-7-12-13(15)8-3-9-14(12)18-17(22)19-16(21)11-5-1-2-6-11/h3-4,7-11,20H,1-2,5-6H2,(H2,18,19,21,22)
InChIKeyDNIKBYCCDIPXNG-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.55
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-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108913872
N-[(4-bromophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924375
N-[(4-chlorophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924371
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[[3-(butanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17187694

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide (CID 2396710) is N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide is O=C(NC(=S)Nc1cccc2c(O)cccc12)C1CCCC1.
What is the InChIKey of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is DNIKBYCCDIPXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-15-10-4-7-12-13(15)8-3-9-14(12)18-17(22)19-16(21)11-5-1-2-6-11/h3-4,7-11,20H,1-2,5-6H2,(H2,18,19,21,22).
What are the key properties of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide?
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 2396710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).