3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide

C20H18N2OS2 — CID 31840668

IUPAC3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESN#Cc1ccc(CCC(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H18N2OS2/c21-13-17-7-5-16(6-8-17)9-10-20(23)22(14-18-3-1-11-24-18)15-19-4-2-12-25-19/h1-8,11-12H,9-10,14-15H2
InChIKeyUEKNJMCHUYNCLQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.84
Rot. Bonds7

About 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide

3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide (PubChem CID 31840668) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
PubChem CID31840668
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESN#Cc1ccc(CCC(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H18N2OS2/c21-13-17-7-5-16(6-8-17)9-10-20(23)22(14-18-3-1-11-24-18)15-19-4-2-12-25-19/h1-8,11-12H,9-10,14-15H2
InChIKeyUEKNJMCHUYNCLQ-UHFFFAOYSA-N
XLogP4.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
CID 52573104
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 51207453
N-[(1-methylpyrrol-2-yl)methyl]-3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91624509
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide (CID 31840668) is 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide is N#Cc1ccc(CCC(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The InChIKey is UEKNJMCHUYNCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c21-13-17-7-5-16(6-8-17)9-10-20(23)22(14-18-3-1-11-24-18)15-19-4-2-12-25-19/h1-8,11-12H,9-10,14-15H2.
What are the key properties of 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 31840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).