N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide

C22H24N2OS — CID 39952479

IUPACN-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C22H24N2OS/c1-2-18-5-7-19(8-6-18)15-24(16-21-4-3-12-23-14-21)22(25)10-9-20-11-13-26-17-20/h3-8,11-14,17H,2,9-10,15-16H2,1H3
InChIKeyIDVKEPXYMSKANQ-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.87
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide

N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide (PubChem CID 39952479) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
PubChem CID39952479
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C22H24N2OS/c1-2-18-5-7-19(8-6-18)15-24(16-21-4-3-12-23-14-21)22(25)10-9-20-11-13-26-17-20/h3-8,11-14,17H,2,9-10,15-16H2,1H3
InChIKeyIDVKEPXYMSKANQ-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135993476
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55385230
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21046141

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide (CID 39952479) is N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide is CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccsc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide?
The InChIKey is IDVKEPXYMSKANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-2-18-5-7-19(8-6-18)15-24(16-21-4-3-12-23-14-21)22(25)10-9-20-11-13-26-17-20/h3-8,11-14,17H,2,9-10,15-16H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide?
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide has a molecular weight of 364.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39952479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).