N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide

C14H18Cl2N2OS2 — CID 107961704

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(Cl)sc2Cl)(C(N)=S)CC1
InChIInChI=1S/C14H18Cl2N2OS2/c1-2-8-3-5-14(6-4-8,13(17)20)18-12(19)9-7-10(15)21-11(9)16/h7-8H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyGVKGCTBGBTYLCJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.41
Rot. Bonds4

About N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107961704) has the molecular formula C14H18Cl2N2OS2 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107961704
Molecular FormulaC14H18Cl2N2OS2
Molecular Weight365.35 g/mol
Exact Mass364.02
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(Cl)sc2Cl)(C(N)=S)CC1
InChIInChI=1S/C14H18Cl2N2OS2/c1-2-8-3-5-14(6-4-8,13(17)20)18-12(19)9-7-10(15)21-11(9)16/h7-8H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyGVKGCTBGBTYLCJ-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide 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

2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
CID 107961621
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020
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
2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
CID 107965125
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
CID 104638557
1-[(2,5-dibromothiophene-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103925797
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide (CID 107961704) is N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide is CCC1CCC(NC(=O)c2cc(Cl)sc2Cl)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is GVKGCTBGBTYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS2/c1-2-8-3-5-14(6-4-8,13(17)20)18-12(19)9-7-10(15)21-11(9)16/h7-8H,2-6H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 4.41, 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)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107961704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).