1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide

C15H20N2O3S — CID 80593032

IUPAC1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(C(N)=S)CC(C)C2)cc(OC)c1
InChIInChI=1S/C15H20N2O3S/c1-9-7-15(8-9,13(16)21)14(18)17-10-4-11(19-2)6-12(5-10)20-3/h4-6,9H,7-8H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyUSOKGEYXDZRRJB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.34
Rot. Bonds5

About 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide

1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80593032) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80593032
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(C(N)=S)CC(C)C2)cc(OC)c1
InChIInChI=1S/C15H20N2O3S/c1-9-7-15(8-9,13(16)21)14(18)17-10-4-11(19-2)6-12(5-10)20-3/h4-6,9H,7-8H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyUSOKGEYXDZRRJB-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-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

1-carbamothioyl-3-methyl-N-pyrimidin-5-ylcyclobutane-1-carboxamide
CID 107588762
1-carbamothioyl-N-[4-(dimethylamino)phenyl]-3-methylcyclobutane-1-carboxamide
CID 80589868
1-carbamothioyl-3-methyl-N-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80593033
1-carbamothioyl-N-[3-(dimethylamino)phenyl]-3-methylcyclobutane-1-carboxamide
CID 115377619
1-carbamothioyl-N-(2-chloro-5-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 107625996
1-carbamothioyl-N-(2,6-dichloro-4-fluorophenyl)-3-methylcyclobutane-1-carboxamide
CID 83078579
1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80592963
N-(4-bromo-2,5-difluorophenyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 107612177
N-(2-bromo-5-methylphenyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 82756973
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide (CID 80593032) is 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide is COc1cc(NC(=O)C2(C(N)=S)CC(C)C2)cc(OC)c1.
What is the InChIKey of 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is USOKGEYXDZRRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-7-15(8-9,13(16)21)14(18)17-10-4-11(19-2)6-12(5-10)20-3/h4-6,9H,7-8H2,1-3H3,(H2,16,21)(H,17,18).
What are the key properties of 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide?
1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3,5-dimethoxyphenyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80593032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).