2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide

C10H12ClNO2S — CID 60701143

IUPAC2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
SMILESCONC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-7(10(13)12-14-2)15-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyCCCVFKYBTSMMDJ-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide

2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide (PubChem CID 60701143) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
PubChem CID60701143
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
SMILESCONC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-7(10(13)12-14-2)15-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyCCCVFKYBTSMMDJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide (CID 60701143) is 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide is CONC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide?
The InChIKey is CCCVFKYBTSMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-7(10(13)12-14-2)15-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide?
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide has a molecular weight of 245.73 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide is sourced from PubChem (CID 60701143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).