N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C21H21NOS — CID 31087808

IUPACN-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21NOS/c1-15-10-11-20(16(2)12-15)22-21(23)14-24-13-18-8-5-7-17-6-3-4-9-19(17)18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyCTRREMFNWMEJJC-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.33
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 31087808) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID31087808
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21NOS/c1-15-10-11-20(16(2)12-15)22-21(23)14-24-13-18-8-5-7-17-6-3-4-9-19(17)18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyCTRREMFNWMEJJC-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17360507
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 2365136
(2-fluorophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7430388
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552
N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 17296537
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 7311940
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
N-(2-bromo-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058100
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 31087808) is N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is Cc1ccc(NC(=O)CSCc2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is CTRREMFNWMEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-15-10-11-20(16(2)12-15)22-21(23)14-24-13-18-8-5-7-17-6-3-4-9-19(17)18/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 31087808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).