2-benzylsulfanyl-N-naphthalen-2-ylacetamide

C19H17NOS — CID 2558119

IUPAC2-benzylsulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17NOS/c21-19(14-22-13-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,20,21)
InChIKeyJUSWXEDOUYNQGV-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.71
Rot. Bonds5

About 2-benzylsulfanyl-N-naphthalen-2-ylacetamide

2-benzylsulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 2558119) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-naphthalen-2-ylacetamide
PubChem CID2558119
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name2-benzylsulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17NOS/c21-19(14-22-13-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,20,21)
InChIKeyJUSWXEDOUYNQGV-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-benzylsulfanyl-N-phenylacetamide
CID 584914
[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7408075
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
CID 2343098
4-[(2-benzylsulfanylacetyl)amino]pyridine-2-carboxylic acid
CID 63650192
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
2-[[5-(benzylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 126368360
ethyl 3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17296525
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789
(E)-4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786135

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-benzylsulfanyl-N-naphthalen-2-ylacetamide (CID 2558119) is 2-benzylsulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-benzylsulfanyl-N-naphthalen-2-ylacetamide is O=C(CSCc1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-benzylsulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is JUSWXEDOUYNQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c21-19(14-22-13-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-naphthalen-2-ylacetamide?
2-benzylsulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 307.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2558119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).