N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide

C16H22N2O2S — CID 107805706

IUPACN-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cccc(C)c2C(N)=S)C1
InChIInChI=1S/C16H22N2O2S/c1-3-20-12-7-11(8-12)9-14(19)18-13-6-4-5-10(2)15(13)16(17)21/h4-6,11-12H,3,7-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyYFKZPWDCOVDXCT-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.77
Rot. Bonds6

About N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 107805706) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID107805706
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cccc(C)c2C(N)=S)C1
InChIInChI=1S/C16H22N2O2S/c1-3-20-12-7-11(8-12)9-14(19)18-13-6-4-5-10(2)15(13)16(17)21/h4-6,11-12H,3,7-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyYFKZPWDCOVDXCT-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.77
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

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)-3,4,4-trimethylpentanamide
CID 107805667
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 103166077
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 107805706) is N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2cccc(C)c2C(N)=S)C1.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is YFKZPWDCOVDXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-20-12-7-11(8-12)9-14(19)18-13-6-4-5-10(2)15(13)16(17)21/h4-6,11-12H,3,7-9H2,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 107805706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).