N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C17H21NOS — CID 134058118

IUPACN-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCC(C)CNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C17H21NOS/c1-13(2)10-18-17(19)12-20-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,18,19)
InChIKeyKRIOTKGYIDDOOJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.85
Rot. Bonds6

About N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 134058118) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID134058118
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCC(C)CNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C17H21NOS/c1-13(2)10-18-17(19)12-20-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,18,19)
InChIKeyKRIOTKGYIDDOOJ-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
CID 75369771
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543
4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
CID 21108830
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94488695
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2647854
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 134058118) is N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is CC(C)CNC(=O)CSCc1cccc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is KRIOTKGYIDDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(2)10-18-17(19)12-20-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 287.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 134058118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).