2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide

C14H18ClNO2S — CID 56811717

IUPAC2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)Cc1cccc(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-5-3-4-11(8-12)9-19(18)10-14(17)16-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,16,17)
InChIKeyKYMQWCHXJNGLHI-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.65
Rot. Bonds5

About 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide

2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide (PubChem CID 56811717) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide
PubChem CID56811717
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)Cc1cccc(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-5-3-4-11(8-12)9-19(18)10-14(17)16-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,16,17)
InChIKeyKYMQWCHXJNGLHI-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide (CID 56811717) is 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide is O=C(CS(=O)Cc1cccc(Cl)c1)NC1CCCC1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The InChIKey is KYMQWCHXJNGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-5-3-4-11(8-12)9-19(18)10-14(17)16-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,16,17).
What are the key properties of 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide has a molecular weight of 299.82 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 56811717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).