N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide

C21H23FN2O3S — CID 29233310

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2cccs2)cc1F
InChIInChI=1S/C21H23FN2O3S/c1-23(12-16-7-8-20(26-2)19(22)11-16)21(25)15-24(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3
InChIKeyDXNNVODORNSTSQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.15
Rot. Bonds9

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide (PubChem CID 29233310) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide
PubChem CID29233310
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2cccs2)cc1F
InChIInChI=1S/C21H23FN2O3S/c1-23(12-16-7-8-20(26-2)19(22)11-16)21(25)15-24(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3
InChIKeyDXNNVODORNSTSQ-UHFFFAOYSA-N
XLogP4.15
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
3-(3-bromo-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 31836568
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111366872
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090197
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide (CID 29233310) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2cccs2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The InChIKey is DXNNVODORNSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-23(12-16-7-8-20(26-2)19(22)11-16)21(25)15-24(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide has a molecular weight of 402.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide is sourced from PubChem (CID 29233310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).