N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide

C15H22N2OS2 — CID 79802020

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cscc2C)(C(N)=S)CC1
InChIInChI=1S/C15H22N2OS2/c1-3-11-4-6-15(7-5-11,14(16)19)17-13(18)12-9-20-8-10(12)2/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyUKMOTDMHGXBDJO-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.41
Rot. Bonds4

About N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802020) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
PubChem CID79802020
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cscc2C)(C(N)=S)CC1
InChIInChI=1S/C15H22N2OS2/c1-3-11-4-6-15(7-5-11,14(16)19)17-13(18)12-9-20-8-10(12)2/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyUKMOTDMHGXBDJO-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61120816
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)furan-3-carboxamide
CID 106852172
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
CID 104638557
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 113275709
N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
CID 79158410
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-2-methylbenzamide
CID 65307904
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide (CID 79802020) is N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide is CCC1CCC(NC(=O)c2cscc2C)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide?
The InChIKey is UKMOTDMHGXBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-3-11-4-6-15(7-5-11,14(16)19)17-13(18)12-9-20-8-10(12)2/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).