N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide

C15H14Cl2N2OS — CID 103288420

IUPACN-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESNc1ccc(NC(=O)CSCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-14-6-5-11(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyHVZMSOXOSYSRSF-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.45
Rot. Bonds5

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

N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 103288420) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
PubChem CID103288420
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESNc1ccc(NC(=O)CSCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-14-6-5-11(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyHVZMSOXOSYSRSF-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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

N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
N-(2-chloro-5-nitrophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17359160
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
N-(4-amino-2-chlorophenyl)-3-benzylsulfanylpropanamide
CID 30053679

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide (CID 103288420) is N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide is Nc1ccc(NC(=O)CSCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is HVZMSOXOSYSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-14-6-5-11(18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 341.26 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 103288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).