N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide

C11H14N2O2S — CID 62309444

IUPACN-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-7-10(14)13-6-8-2-4-9(5-3-8)11(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyMZGSLAOOLDLKTQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.58
Rot. Bonds5

About N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide

N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide (PubChem CID 62309444) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
PubChem CID62309444
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-7-10(14)13-6-8-2-4-9(5-3-8)11(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyMZGSLAOOLDLKTQ-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.58
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-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
2-(4-carbamothioylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 29283325
N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
3-[(4-carbamothioylphenyl)methyl]-1,1-dimethylurea
CID 79154856
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
CID 82984144
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide (CID 62309444) is N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(C(N)=S)cc1.
What is the InChIKey of N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide?
The InChIKey is MZGSLAOOLDLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-7-10(14)13-6-8-2-4-9(5-3-8)11(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide?
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide has a molecular weight of 238.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 62309444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).