2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide

C15H15ClN2OS — CID 28973867

IUPAC2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
SMILESNc1cc(Cl)ccc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyFUQXDOJXFHXSPL-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide

2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide (PubChem CID 28973867) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
PubChem CID28973867
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
SMILESNc1cc(Cl)ccc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyFUQXDOJXFHXSPL-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.33
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-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
CID 43250778
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 43305842
3-benzyl-1-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1-methylthiourea
CID 2523245
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide (CID 28973867) is 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide is Nc1cc(Cl)ccc1SCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide?
The InChIKey is FUQXDOJXFHXSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide?
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide has a molecular weight of 306.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide is sourced from PubChem (CID 28973867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).