N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide

C15H20N2OS — CID 797213

IUPACN-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCc1ccccc1NC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyQLHYPIKKUQYSME-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.39
Rot. Bonds2

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

N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 797213) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID797213
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCc1ccccc1NC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyQLHYPIKKUQYSME-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
CID 2396710
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide (CID 797213) is N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide is Cc1ccccc1NC(=S)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is QLHYPIKKUQYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 797213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).