N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H26N2O2S — CID 55381578

IUPACN-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(CSCCNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O2S/c1-18-9-11-19(12-10-18)17-29-14-13-25-24(28)16-26-23(27)15-21-7-4-6-20-5-2-3-8-22(20)21/h2-12H,13-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyFRQGKQIWTSGBPC-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.86
Rot. Bonds9

About N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55381578) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55381578
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(CSCCNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O2S/c1-18-9-11-19(12-10-18)17-29-14-13-25-24(28)16-26-23(27)15-21-7-4-6-20-5-2-3-8-22(20)21/h2-12H,13-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyFRQGKQIWTSGBPC-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
CID 18113744
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
3,4,5-trimethoxy-N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 27708107
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 32964688
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55381578) is N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cc1ccc(CSCCNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is FRQGKQIWTSGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-18-9-11-19(12-10-18)17-29-14-13-25-24(28)16-26-23(27)15-21-7-4-6-20-5-2-3-8-22(20)21/h2-12H,13-17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 406.55 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55381578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).