N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C25H26FNO3S — CID 45220485

IUPACN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccc(OCCc2ccccc2F)c1)CC1CCCO1
InChIInChI=1S/C25H26FNO3S/c26-23-10-2-1-7-20(23)12-14-30-21-8-3-6-19(16-21)17-27(18-22-9-4-13-29-22)25(28)24-11-5-15-31-24/h1-3,5-8,10-11,15-16,22H,4,9,12-14,17-18H2
InChIKeyHLCUYNUNKBMEOP-UHFFFAOYSA-N
MW439.55 g/mol
LogP5.33
Rot. Bonds9

About N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 45220485) has the molecular formula C25H26FNO3S and a molecular weight of 439.55 g/mol. Its IUPAC name is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID45220485
Molecular FormulaC25H26FNO3S
Molecular Weight439.55 g/mol
Exact Mass439.16
IUPAC NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccc(OCCc2ccccc2F)c1)CC1CCCO1
InChIInChI=1S/C25H26FNO3S/c26-23-10-2-1-7-20(23)12-14-30-21-8-3-6-19(16-21)17-27(18-22-9-4-13-29-22)25(28)24-11-5-15-31-24/h1-3,5-8,10-11,15-16,22H,4,9,12-14,17-18H2
InChIKeyHLCUYNUNKBMEOP-UHFFFAOYSA-N
XLogP5.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42238955
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26342194
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42405441
3-(3,5-dimethylpyrazol-1-yl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45248080
[3-[[[(2S)-oxolan-2-yl]methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 93301765
3-[2-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87000019
5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 42481556
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 5049359
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 42498720

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 45220485) is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cccc(OCCc2ccccc2F)c1)CC1CCCO1.
What is the InChIKey of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HLCUYNUNKBMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3S/c26-23-10-2-1-7-20(23)12-14-30-21-8-3-6-19(16-21)17-27(18-22-9-4-13-29-22)25(28)24-11-5-15-31-24/h1-3,5-8,10-11,15-16,22H,4,9,12-14,17-18H2.
What are the key properties of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45220485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).