3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide

C10H12ClNO2S — CID 60700895

IUPAC3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
SMILESCONC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-14-12-10(13)6-7-15-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyHHQOGFUFMDSOHF-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.50
Rot. Bonds5

About 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide

3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide (PubChem CID 60700895) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
PubChem CID60700895
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
SMILESCONC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-14-12-10(13)6-7-15-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyHHQOGFUFMDSOHF-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
CID 78786049
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 61137724
methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
3-(2-chlorophenyl)sulfanylpropanoate
CID 2380456
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide (CID 60700895) is 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide is CONC(=O)CCSc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide?
The InChIKey is HHQOGFUFMDSOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-14-12-10(13)6-7-15-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide?
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide has a molecular weight of 245.73 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide is sourced from PubChem (CID 60700895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).