N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide

C19H23FN2O2S — CID 4162953

IUPACN-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNCC1CCCO1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C19H23FN2O2S/c20-16-7-5-15(6-8-16)13-22(14-18-4-2-10-25-18)19(23)12-21-11-17-3-1-9-24-17/h2,4-8,10,17,21H,1,3,9,11-14H2
InChIKeyWLSZGNORJXLHSP-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.18
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide

N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4162953) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4162953
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNCC1CCCO1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C19H23FN2O2S/c20-16-7-5-15(6-8-16)13-22(14-18-4-2-10-25-18)19(23)12-21-11-17-3-1-9-24-17/h2,4-8,10,17,21H,1,3,9,11-14H2
InChIKeyWLSZGNORJXLHSP-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-phenyl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3211236
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
N1-benzyl-N2-((3-(thiophene-2-carbonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12005964
2-(4-Fluorobenzenesulfonamido)-N-{[(oxolan-2-ylmethyl)carbamoyl]methyl}-N-(thiophen-2-ylmethyl)acetamide
CID 3207057
(E)-N-ethyl-3-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 6212019
Thiophene-2-carboxylic acid [(benzyl-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215856
4-methyl-N-[1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 5755095
N'-[(4-fluorophenyl)methyl]-N-{[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl}ethanediamide
CID 12005886
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4205526
N-[1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 5727075

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 4162953) is N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNCC1CCCO1)N(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WLSZGNORJXLHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-16-7-5-15(6-8-16)13-22(14-18-4-2-10-25-18)19(23)12-21-11-17-3-1-9-24-17/h2,4-8,10,17,21H,1,3,9,11-14H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4162953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).