3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide

C11H15ClN2OS — CID 62324063

IUPAC3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-2-14-11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyIDLFQOIOOLPCEQ-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.54
Rot. Bonds5

About 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide

3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide (PubChem CID 62324063) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
PubChem CID62324063
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-2-14-11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyIDLFQOIOOLPCEQ-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide (CID 62324063) is 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)CCSc1ccc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is IDLFQOIOOLPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-2-14-11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 258.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 62324063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).