N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide

C14H11BrN2O2S — CID 78986000

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2sccc2Br)cc1
InChIInChI=1S/C14H11BrN2O2S/c15-12-5-6-20-13(12)8-17-14(18)9-19-11-3-1-10(7-16)2-4-11/h1-6H,8-9H2,(H,17,18)
InChIKeyPCTNQIAIILYMPC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide

N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide (PubChem CID 78986000) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
PubChem CID78986000
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2sccc2Br)cc1
InChIInChI=1S/C14H11BrN2O2S/c15-12-5-6-20-13(12)8-17-14(18)9-19-11-3-1-10(7-16)2-4-11/h1-6H,8-9H2,(H,17,18)
InChIKeyPCTNQIAIILYMPC-UHFFFAOYSA-N
XLogP3.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide (CID 78986000) is N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)NCc2sccc2Br)cc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is PCTNQIAIILYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-12-5-6-20-13(12)8-17-14(18)9-19-11-3-1-10(7-16)2-4-11/h1-6H,8-9H2,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 351.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 78986000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).