2-chloro-N-(2-methylsulfanylphenyl)acetamide

C9H10ClNOS — CID 2362554

IUPAC2-chloro-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CCl
InChIInChI=1S/C9H10ClNOS/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyARYOGFDHPAKXPE-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-(2-methylsulfanylphenyl)acetamide

2-chloro-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2362554) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2362554
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name2-chloro-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CCl
InChIInChI=1S/C9H10ClNOS/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyARYOGFDHPAKXPE-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chloroacetanilide
CID 11485
2-Acetamidophenyl phenyl sulfide
CID 365383
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
CID 96471
2-Methyl-1,5-benzothiazepin-4(5H)-one
CID 44913
N-[3-(methylsulfanyl)phenyl]propanamide
CID 837887
2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CID 2728636
4'-(Methylthio)acetanilide
CID 289475
2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 1934236
S-(4-acetamidophenyl) ethanethioate
CID 247471
N-(2-(Methylsulfonyl)phenyl)acetamide
CID 826278
2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
CID 2384590
2-Chloro-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 2404883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylsulfanylphenyl)acetamide (CID 2362554) is 2-chloro-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ARYOGFDHPAKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(2-methylsulfanylphenyl)acetamide?
2-chloro-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 215.71 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2362554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).