2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide

C15H15ClN2OS — CID 43304833

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
SMILESNc1cccc(Cl)c1SCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-12-7-4-8-13(17)15(12)20-10-14(19)18-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyNIVHHRVSCCFCKT-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide (PubChem CID 43304833) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
PubChem CID43304833
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
SMILESNc1cccc(Cl)c1SCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-12-7-4-8-13(17)15(12)20-10-14(19)18-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyNIVHHRVSCCFCKT-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-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7489579
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
3-chloro-2-(3-phenylpropylsulfanyl)aniline
CID 43304466
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide (CID 43304833) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide is Nc1cccc(Cl)c1SCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide?
The InChIKey is NIVHHRVSCCFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-7-4-8-13(17)15(12)20-10-14(19)18-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide?
2-(2-amino-6-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-6-chlorophenyl)sulfanyl-N-benzylacetamide is sourced from PubChem (CID 43304833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).