N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide

C18H20N2OS — CID 52573104

IUPACN-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccs1
InChIInChI=1S/C18H20N2OS/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)18(21)10-9-17-4-3-12-22-17/h3-8,12H,2,9-11,14H2,1H3
InChIKeyCRERGJZEUKSQJR-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.99
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide

N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide (PubChem CID 52573104) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
PubChem CID52573104
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccs1
InChIInChI=1S/C18H20N2OS/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)18(21)10-9-17-4-3-12-22-17/h3-8,12H,2,9-11,14H2,1H3
InChIKeyCRERGJZEUKSQJR-UHFFFAOYSA-N
XLogP3.99
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 31840668
N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55594478
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
5-bromo-N-[2-[(4-cyanophenyl)methyl-propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55831026
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide (CID 52573104) is N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccs1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide?
The InChIKey is CRERGJZEUKSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)18(21)10-9-17-4-3-12-22-17/h3-8,12H,2,9-11,14H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide?
N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 52573104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).