2-[(3-chlorophenyl)methylsulfanyl]propanamide

C10H12ClNOS — CID 47160142

IUPAC2-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESCC(SCc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C10H12ClNOS/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyJZBUBJUTXSFLDR-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.45
Rot. Bonds4

About 2-[(3-chlorophenyl)methylsulfanyl]propanamide

2-[(3-chlorophenyl)methylsulfanyl]propanamide (PubChem CID 47160142) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]propanamide
PubChem CID47160142
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESCC(SCc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C10H12ClNOS/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyJZBUBJUTXSFLDR-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2-(benzylthio)-
CID 95209
2-((Bis(3-chlorophenyl)methyl)thio)acetamide
CID 76314640
2-((Bis(3-chlorophenyl)methyl)sulfinyl)acetamide
CID 76329087
2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
2-Cyclopentyl-2-[(3,5-dichlorophenyl)methylsulfanyl]acetamide
CID 162665282
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
Acetamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049612
Propanamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049619
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-(Bis(4-Chlorophenyl)Methylthio)Acetamide
CID 53324067
2-[[2-(3-Chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 57393055

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]propanamide (CID 47160142) is 2-[(3-chlorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]propanamide is CC(SCc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]propanamide?
The InChIKey is JZBUBJUTXSFLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]propanamide?
2-[(3-chlorophenyl)methylsulfanyl]propanamide has a molecular weight of 229.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 47160142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).