2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide

C15H14Cl2N2OS — CID 43305259

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESNc1ccc(SCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-1-10(2-4-11)8-19-15(20)9-21-14-6-5-12(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyDVPGUBUNPBWDBU-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 43305259) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID43305259
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESNc1ccc(SCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-1-10(2-4-11)8-19-15(20)9-21-14-6-5-12(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyDVPGUBUNPBWDBU-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 62324063
3-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626603

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide (CID 43305259) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide is Nc1ccc(SCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is DVPGUBUNPBWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-11-3-1-10(2-4-11)8-19-15(20)9-21-14-6-5-12(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 341.26 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 43305259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).