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

C16H16ClNOS — CID 875874

IUPACN-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHPQZKOGXAICXIE-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.52
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 875874) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID875874
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHPQZKOGXAICXIE-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
1-(3-chloro-2-methylphenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373118
1-(2,3-dichlorophenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373036
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498579
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 103288420

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 875874) is N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HPQZKOGXAICXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).