3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

C15H14Cl2N2OS — CID 79525427

IUPAC3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccc(Cl)cc1SCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-9-11(17)4-5-13(14)18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyJSFVPMMHLDOXCV-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.70
Rot. Bonds5

About 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (PubChem CID 79525427) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
PubChem CID79525427
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccc(Cl)cc1SCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-9-11(17)4-5-13(14)18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyJSFVPMMHLDOXCV-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.70
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

3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43303444
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
CID 79533355
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 46304740
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (CID 79525427) is 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide is Nc1ccc(Cl)cc1SCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The InChIKey is JSFVPMMHLDOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-10-2-1-3-12(8-10)19-15(20)6-7-21-14-9-11(17)4-5-13(14)18/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide has a molecular weight of 341.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 79525427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).