2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide

C22H26N2O3S — CID 24574934

IUPAC2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)NCCCOCc1ccccc1
InChIInChI=1S/C22H26N2O3S/c25-22(23-11-6-12-26-18-19-7-2-1-3-8-19)17-24(15-20-9-4-13-27-20)16-21-10-5-14-28-21/h1-5,7-10,13-14H,6,11-12,15-18H2,(H,23,25)
InChIKeyWIMDFSUFMCMVKR-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.07
Rot. Bonds12

About 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24574934) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24574934
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)NCCCOCc1ccccc1
InChIInChI=1S/C22H26N2O3S/c25-22(23-11-6-12-26-18-19-7-2-1-3-8-19)17-24(15-20-9-4-13-27-20)16-21-10-5-14-28-21/h1-5,7-10,13-14H,6,11-12,15-18H2,(H,23,25)
InChIKeyWIMDFSUFMCMVKR-UHFFFAOYSA-N
XLogP4.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide
CID 24682599
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17426015
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-cyclopentyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17449333
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide (CID 24574934) is 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide is O=C(CN(Cc1ccco1)Cc1cccs1)NCCCOCc1ccccc1.
What is the InChIKey of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is WIMDFSUFMCMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(23-11-6-12-26-18-19-7-2-1-3-8-19)17-24(15-20-9-4-13-27-20)16-21-10-5-14-28-21/h1-5,7-10,13-14H,6,11-12,15-18H2,(H,23,25).
What are the key properties of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide?
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24574934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).