2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C18H16BrNO2S — CID 8022220

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO2S/c1-20(11-17-3-2-8-23-17)18(21)12-22-16-7-5-13-9-15(19)6-4-14(13)10-16/h2-10H,11-12H2,1H3
InChIKeyZFCCCRXKLWILBC-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.70
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8022220) has the molecular formula C18H16BrNO2S and a molecular weight of 390.30 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8022220
Molecular FormulaC18H16BrNO2S
Molecular Weight390.30 g/mol
Exact Mass389.01
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO2S/c1-20(11-17-3-2-8-23-17)18(21)12-22-16-7-5-13-9-15(19)6-4-14(13)10-16/h2-10H,11-12H2,1H3
InChIKeyZFCCCRXKLWILBC-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 8022220) is 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZFCCCRXKLWILBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2S/c1-20(11-17-3-2-8-23-17)18(21)12-22-16-7-5-13-9-15(19)6-4-14(13)10-16/h2-10H,11-12H2,1H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 390.30 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8022220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).