2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide

C15H22ClNO3S — CID 95599438

IUPAC2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C[S@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3S/c1-12(2)20-8-4-7-17-15(18)11-21(19)10-13-5-3-6-14(16)9-13/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,17,18)/t21-/m1/s1
InChIKeyRALBJOBQUNVFOE-OAQYLSRUSA-N
MW331.87 g/mol
LogP2.52
Rot. Bonds9

About 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide

2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 95599438) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID95599438
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C[S@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3S/c1-12(2)20-8-4-7-17-15(18)11-21(19)10-13-5-3-6-14(16)9-13/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,17,18)/t21-/m1/s1
InChIKeyRALBJOBQUNVFOE-OAQYLSRUSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide (CID 95599438) is 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)C[S@](=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is RALBJOBQUNVFOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12(2)20-8-4-7-17-15(18)11-21(19)10-13-5-3-6-14(16)9-13/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,17,18)/t21-/m1/s1.
What are the key properties of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 331.87 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 95599438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).