N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide

C16H19NO2S — CID 72702442

IUPACN-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
SMILESCOc1ccc2cccc(C(CS)CNC(C)=O)c2c1
InChIInChI=1S/C16H19NO2S/c1-11(18)17-9-13(10-20)15-5-3-4-12-6-7-14(19-2)8-16(12)15/h3-8,13,20H,9-10H2,1-2H3,(H,17,18)
InChIKeyNXLSKAJBNXSWMX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide

N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide (PubChem CID 72702442) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
PubChem CID72702442
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
SMILESCOc1ccc2cccc(C(CS)CNC(C)=O)c2c1
InChIInChI=1S/C16H19NO2S/c1-11(18)17-9-13(10-20)15-5-3-4-12-6-7-14(19-2)8-16(12)15/h3-8,13,20H,9-10H2,1-2H3,(H,17,18)
InChIKeyNXLSKAJBNXSWMX-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[3-acetamido-2-(7-methoxynaphthalen-1-yl)propyl] methanesulfonate
CID 86617345
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25174420
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
3-(7-methoxynaphthalen-1-yl)heptanamide
CID 57192600
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
3-(7-methoxynaphthalen-1-yl)octanamide
CID 57205091
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
3-(7-methoxynaphthalen-1-yl)butanamide
CID 57236760
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide (CID 72702442) is N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide is COc1ccc2cccc(C(CS)CNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide?
The InChIKey is NXLSKAJBNXSWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(18)17-9-13(10-20)15-5-3-4-12-6-7-14(19-2)8-16(12)15/h3-8,13,20H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide?
N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide is sourced from PubChem (CID 72702442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).