2-[(2-chlorophenyl)methylsulfanyl]acetamide

C9H10ClNOS — CID 958774

IUPAC2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C9H10ClNOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyKHZMVMFMTCPNQD-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 958774) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]acetamide
PubChem CID958774
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C9H10ClNOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyKHZMVMFMTCPNQD-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[(2-iodophenyl)methylsulfanyl]acetamide
CID 23089127
2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetamide
CID 66938308
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-[(2-amino-2-oxoethyl)sulfanylmethyl]benzoic acid
CID 82177510
1-chloro-2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]benzene
CID 103288075
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
ethyl 4-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3-oxobutanoate
CID 103289000
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 103288420
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]acetamide (CID 958774) is 2-[(2-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]acetamide is NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is KHZMVMFMTCPNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 215.71 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 958774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).