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

C14H19ClN2OS — CID 79133802

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1cc(N)ccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H19ClN2OS/c1-9(14(18)17-11-4-2-3-5-11)19-13-8-10(16)6-7-12(13)15/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyJKYRFYANASZIFH-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.46
Rot. Bonds4

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

2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 79133802) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID79133802
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1cc(N)ccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H19ClN2OS/c1-9(14(18)17-11-4-2-3-5-11)19-13-8-10(16)6-7-12(13)15/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyJKYRFYANASZIFH-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.46
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

(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
CID 43300055
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (CID 79133802) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide is CC(Sc1cc(N)ccc1Cl)C(=O)NC1CCCC1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is JKYRFYANASZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-9(14(18)17-11-4-2-3-5-11)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)sulfanyl-N-cyclopentylpropanamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 298.84 g/mol, XLogP of 3.46, 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)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 79133802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).