2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide

C14H19ClN2O2S — CID 81206944

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H19ClN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(16)6-7-12(13)15/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyRXTQOJIDPIRKSV-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.48
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide (PubChem CID 81206944) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
PubChem CID81206944
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H19ClN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(16)6-7-12(13)15/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyRXTQOJIDPIRKSV-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81182603
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
CID 61366940
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide (CID 81206944) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)S(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide?
The InChIKey is RXTQOJIDPIRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(16)6-7-12(13)15/h6-9,11H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide has a molecular weight of 314.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide is sourced from PubChem (CID 81206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).