N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide

C12H16ClNO2S — CID 51077098

IUPACN-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2S/c1-9-10(13)4-3-5-11(9)14-12(15)8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyGRUIFYOPGPQCPN-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.97
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide

N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 51077098) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID51077098
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2S/c1-9-10(13)4-3-5-11(9)14-12(15)8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyGRUIFYOPGPQCPN-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 7699071
N-(3-chloro-2-methylphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112763311
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9403978
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 66224752
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide (CID 51077098) is N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is GRUIFYOPGPQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-9-10(13)4-3-5-11(9)14-12(15)8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 273.78 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 51077098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).