N-(2-benzylsulfanyl-4-methylphenyl)acetamide

C16H17NOS — CID 164681951

IUPACN-(2-benzylsulfanyl-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1SCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-12-8-9-15(17-13(2)18)16(10-12)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyZDJLKSSICOWNIN-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.25
Rot. Bonds4

About N-(2-benzylsulfanyl-4-methylphenyl)acetamide

N-(2-benzylsulfanyl-4-methylphenyl)acetamide (PubChem CID 164681951) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-benzylsulfanyl-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanyl-4-methylphenyl)acetamide
PubChem CID164681951
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(2-benzylsulfanyl-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1SCc1ccccc1
InChIInChI=1S/C16H17NOS/c1-12-8-9-15(17-13(2)18)16(10-12)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyZDJLKSSICOWNIN-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
CID 16576531
N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954
1-benzylsulfanyl-4-methyl-2-nitrobenzene
CID 59110956
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946
N-(4-methyl-2-phenylsulfanylphenyl)benzamide
CID 164683157
2-[4-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]propanoic acid
CID 105345085
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanyl-4-methylphenyl)acetamide?
The IUPAC name of N-(2-benzylsulfanyl-4-methylphenyl)acetamide (CID 164681951) is N-(2-benzylsulfanyl-4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanyl-4-methylphenyl)acetamide?
The canonical SMILES for N-(2-benzylsulfanyl-4-methylphenyl)acetamide is CC(=O)Nc1ccc(C)cc1SCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanyl-4-methylphenyl)acetamide?
The InChIKey is ZDJLKSSICOWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-8-9-15(17-13(2)18)16(10-12)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-benzylsulfanyl-4-methylphenyl)acetamide?
N-(2-benzylsulfanyl-4-methylphenyl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanyl-4-methylphenyl)acetamide is sourced from PubChem (CID 164681951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).