2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide

C19H16N2O2S2 — CID 31837477

IUPAC2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H16N2O2S2/c20-11-15-5-1-2-8-18(15)23-14-19(22)21(12-16-6-3-9-24-16)13-17-7-4-10-25-17/h1-10H,12-14H2
InChIKeyIIBNPUNCYCMOHC-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.29
Rot. Bonds7

About 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide

2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide (PubChem CID 31837477) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
PubChem CID31837477
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC Name2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H16N2O2S2/c20-11-15-5-1-2-8-18(15)23-14-19(22)21(12-16-6-3-9-24-16)13-17-7-4-10-25-17/h1-10H,12-14H2
InChIKeyIIBNPUNCYCMOHC-UHFFFAOYSA-N
XLogP4.29
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-cyanophenoxy)acetate
CID 9275268
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
3-[[2-(2-cyanophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827727
N-[(2-methoxyphenyl)methyl]-2-(2-nitrophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 8699994
2-(2-fluorophenoxy)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71804082
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]benzonitrile
CID 4806379
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide (CID 31837477) is 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide is N#Cc1ccccc1OCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The InChIKey is IIBNPUNCYCMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c20-11-15-5-1-2-8-18(15)23-14-19(22)21(12-16-6-3-9-24-16)13-17-7-4-10-25-17/h1-10H,12-14H2.
What are the key properties of 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 31837477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).