N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide

C14H18N2OS — CID 2374005

IUPACN-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCN(C(=S)NC(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-16(12-9-3-2-4-10-12)14(18)15-13(17)11-7-5-6-8-11/h2-4,9-11H,5-8H2,1H3,(H,15,17,18)
InChIKeyLWDOXHHBTDCMRE-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.71
Rot. Bonds2

About N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide

N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 2374005) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide
PubChem CID2374005
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCN(C(=S)NC(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-16(12-9-3-2-4-10-12)14(18)15-13(17)11-7-5-6-8-11/h2-4,9-11H,5-8H2,1H3,(H,15,17,18)
InChIKeyLWDOXHHBTDCMRE-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Acetyl-3-phenyl-2-thiourea
CID 853886
N-{[(2-methylphenyl)amino]carbonothioyl}cyclohexanecarboxamide
CID 797213
N-(phenylcarbamothioyl)cyclohexanecarboxamide
CID 797446
N-[4-(diethylamino)phenyl]cyclopentanecarboxamide
CID 849594
N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
CID 886080
N-(2,3-dihydro-1H-indol-1-ylcarbonothioyl)cyclobutanecarboxamide
CID 974475
N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
CID 2429407
N-{[(2-fluorophenyl)amino]carbonothioyl}-2-methylpropanamide
CID 801621
N-[(2-fluorophenyl)carbamothioyl]butanamide
CID 823795
N-[(3-methylphenyl)carbamothioyl]-3-phenylpropanamide
CID 833601
N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide
CID 833925
N-({[4-(diethylamino)phenyl]amino}carbonothioyl)-2-phenylacetamide
CID 885129

Frequently Asked Questions

What is the IUPAC name of N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide (CID 2374005) is N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide is CN(C(=S)NC(=O)C1CCCC1)c1ccccc1.
What is the InChIKey of N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is LWDOXHHBTDCMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(12-9-3-2-4-10-12)14(18)15-13(17)11-7-5-6-8-11/h2-4,9-11H,5-8H2,1H3,(H,15,17,18).
What are the key properties of N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide?
N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(phenyl)carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 2374005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).