2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C25H23FN2O2S — CID 18269944

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H23FN2O2S/c26-21-12-10-20(11-13-21)25(23-9-5-15-31-23)27-24(29)18-28(17-22-8-4-14-30-22)16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,27,29)
InChIKeyLTGFUPXKDYUSSH-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.39
Rot. Bonds9

About 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 18269944) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID18269944
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H23FN2O2S/c26-21-12-10-20(11-13-21)25(23-9-5-15-31-23)27-24(29)18-28(17-22-8-4-14-30-22)16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,27,29)
InChIKeyLTGFUPXKDYUSSH-UHFFFAOYSA-N
XLogP5.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
CID 40803903
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8912401
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 18269944) is 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is LTGFUPXKDYUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c26-21-12-10-20(11-13-21)25(23-9-5-15-31-23)27-24(29)18-28(17-22-8-4-14-30-22)16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,27,29).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 18269944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).