N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide

C24H24FNO3S — CID 42405441

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H]1CCCO1
InChIInChI=1S/C24H24FNO3S/c25-20-5-1-4-19(14-20)17-29-21-10-8-18(9-11-21)15-26(16-22-6-2-12-28-22)24(27)23-7-3-13-30-23/h1,3-5,7-11,13-14,22H,2,6,12,15-17H2/t22-/m1/s1
InChIKeyCPTUIAYDSLFVNN-JOCHJYFZSA-N
MW425.53 g/mol
LogP5.29
Rot. Bonds8

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 42405441) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID42405441
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H]1CCCO1
InChIInChI=1S/C24H24FNO3S/c25-20-5-1-4-19(14-20)17-29-21-10-8-18(9-11-21)15-26(16-22-6-2-12-28-22)24(27)23-7-3-13-30-23/h1,3-5,7-11,13-14,22H,2,6,12,15-17H2/t22-/m1/s1
InChIKeyCPTUIAYDSLFVNN-JOCHJYFZSA-N
XLogP5.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42542215
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 5049359
[3-[[[(2S)-oxolan-2-yl]methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 93301765
N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide
CID 45239939
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 42405441) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H]1CCCO1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CPTUIAYDSLFVNN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24FNO3S/c25-20-5-1-4-19(14-20)17-29-21-10-8-18(9-11-21)15-26(16-22-6-2-12-28-22)24(27)23-7-3-13-30-23/h1,3-5,7-11,13-14,22H,2,6,12,15-17H2/t22-/m1/s1.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42405441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).