N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide

C21H21NO2S — CID 112769058

IUPACN-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2S/c1-2-24-20-10-6-5-9-19(20)22-21(23)15-25-14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13H,2,14-15H2,1H3,(H,22,23)
InChIKeyRHVUXNRDKVVXIM-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.11
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide

N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide (PubChem CID 112769058) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
PubChem CID112769058
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2S/c1-2-24-20-10-6-5-9-19(20)22-21(23)15-25-14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13H,2,14-15H2,1H3,(H,22,23)
InChIKeyRHVUXNRDKVVXIM-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
5-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]furan-2-carboxylic acid
CID 28896261
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
ethyl 3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17296525
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3956986
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355668
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide (CID 112769058) is N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide is CCOc1ccccc1NC(=O)CSCc1ccc2ccccc2c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The InChIKey is RHVUXNRDKVVXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-2-24-20-10-6-5-9-19(20)22-21(23)15-25-14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13H,2,14-15H2,1H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112769058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).