N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide

C10H11NO2S — CID 115166260

IUPACN-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
SMILESCSc1ccc(CNC(=O)C=O)cc1
InChIInChI=1S/C10H11NO2S/c1-14-9-4-2-8(3-5-9)6-11-10(13)7-12/h2-5,7H,6H2,1H3,(H,11,13)
InChIKeyMCUREQDZWONUEK-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.22
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide

N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide (PubChem CID 115166260) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
PubChem CID115166260
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
SMILESCSc1ccc(CNC(=O)C=O)cc1
InChIInChI=1S/C10H11NO2S/c1-14-9-4-2-8(3-5-9)6-11-10(13)7-12/h2-5,7H,6H2,1H3,(H,11,13)
InChIKeyMCUREQDZWONUEK-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 115157586
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115180561
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680
1-ethyl-3-[(4-methylsulfanylphenyl)methyl]thiourea
CID 47512467
2-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186573
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide (CID 115166260) is N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide is CSc1ccc(CNC(=O)C=O)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide?
The InChIKey is MCUREQDZWONUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-14-9-4-2-8(3-5-9)6-11-10(13)7-12/h2-5,7H,6H2,1H3,(H,11,13).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide?
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide has a molecular weight of 209.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 115166260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).