N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C16H17ClN2OS — CID 62770873

IUPACN-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2OS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-8-13(17)6-7-14(15)18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyODEWZOUOEOEZLG-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.10
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 62770873) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID62770873
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2OS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-8-13(17)6-7-14(15)18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyODEWZOUOEOEZLG-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.10
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-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
1-(5-chloro-2-methoxyphenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373111
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498579
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
1-(4-chlorophenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373020
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 62770873) is N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ODEWZOUOEOEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-8-13(17)6-7-14(15)18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 320.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 62770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).