N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

C22H27FN2O2S — CID 55745875

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC1CN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC(C)O1
InChIInChI=1S/C22H27FN2O2S/c1-16-12-25(13-17(2)27-16)14-19-8-4-3-7-18(19)11-24-22(26)15-28-21-10-6-5-9-20(21)23/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)
InChIKeyZQPJDQOZKIFRLS-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.84
Rot. Bonds7

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 55745875) has the molecular formula C22H27FN2O2S and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID55745875
Molecular FormulaC22H27FN2O2S
Molecular Weight402.54 g/mol
Exact Mass402.18
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC1CN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC(C)O1
InChIInChI=1S/C22H27FN2O2S/c1-16-12-25(13-17(2)27-16)14-19-8-4-3-7-18(19)11-24-22(26)15-28-21-10-6-5-9-20(21)23/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)
InChIKeyZQPJDQOZKIFRLS-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265313
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55745595
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(diethylamino)-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56540739
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 47042309
N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide
CID 124882165
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 55745875) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is CC1CN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC(C)O1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is ZQPJDQOZKIFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2S/c1-16-12-25(13-17(2)27-16)14-19-8-4-3-7-18(19)11-24-22(26)15-28-21-10-6-5-9-20(21)23/h3-10,16-17H,11-15H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 402.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 55745875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).