N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide

C18H22N2S — CID 3165867

IUPACN'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide
SMILESCc1ccccc1N/C(=N/C1CCCCC1)c1cccs1
InChIInChI=1S/C18H22N2S/c1-14-8-5-6-11-16(14)20-18(17-12-7-13-21-17)19-15-9-3-2-4-10-15/h5-8,11-13,15H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyUTNSOJGIYIJOCQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.25
Rot. Bonds3

About N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide

N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide (PubChem CID 3165867) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide
PubChem CID3165867
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide
SMILESCc1ccccc1N/C(=N/C1CCCCC1)c1cccs1
InChIInChI=1S/C18H22N2S/c1-14-8-5-6-11-16(14)20-18(17-12-7-13-21-17)19-15-9-3-2-4-10-15/h5-8,11-13,15H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyUTNSOJGIYIJOCQ-UHFFFAOYSA-N
XLogP5.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
CID 67865852
N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511075
4-cyclohexylimino-1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbutan-2-ol
CID 11823339
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
cyclohexyl-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]azanium
CID 7450690
1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
CID 23931956
[2-(2-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
N-(2-methylphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1202853

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide?
The IUPAC name of N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide (CID 3165867) is N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide?
The canonical SMILES for N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide is Cc1ccccc1N/C(=N/C1CCCCC1)c1cccs1.
What is the InChIKey of N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide?
The InChIKey is UTNSOJGIYIJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-14-8-5-6-11-16(14)20-18(17-12-7-13-21-17)19-15-9-3-2-4-10-15/h5-8,11-13,15H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide?
N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide has a molecular weight of 298.45 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide is sourced from PubChem (CID 3165867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).