1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide

C15H20N2O2S — CID 80592963

IUPAC1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C15H20N2O2S/c1-10-7-15(8-10,13(16)20)14(18)17-9-11-5-3-4-6-12(11)19-2/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyKKAYSWAVXRJCAD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.01
Rot. Bonds5

About 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide

1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80592963) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80592963
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C15H20N2O2S/c1-10-7-15(8-10,13(16)20)14(18)17-9-11-5-3-4-6-12(11)19-2/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyKKAYSWAVXRJCAD-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.01
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

1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 114956193
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
1-carbamothioyl-N-[(2,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80590384
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
4-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 94805308
1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976182
1-N-[(2-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
1-carbamothioyl-3-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80589727
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide (CID 80592963) is 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide is COc1ccccc1CNC(=O)C1(C(N)=S)CC(C)C1.
What is the InChIKey of 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is KKAYSWAVXRJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-7-15(8-10,13(16)20)14(18)17-9-11-5-3-4-6-12(11)19-2/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide?
1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80592963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).