N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide

C21H28N2O2S — CID 47042309

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)CC(C)O1
InChIInChI=1S/C21H28N2O2S/c1-16-12-23(13-17(2)25-16)14-20-6-4-3-5-19(20)11-22-21(24)8-7-18-9-10-26-15-18/h3-6,9-10,15-17H,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyOVOUJQUGIDRBLF-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.61
Rot. Bonds7

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide (PubChem CID 47042309) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
PubChem CID47042309
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)CC(C)O1
InChIInChI=1S/C21H28N2O2S/c1-16-12-23(13-17(2)25-16)14-20-6-4-3-5-19(20)11-22-21(24)8-7-18-9-10-26-15-18/h3-6,9-10,15-17H,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyOVOUJQUGIDRBLF-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
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
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55745595
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide (CID 47042309) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide is CC1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)CC(C)O1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is OVOUJQUGIDRBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16-12-23(13-17(2)25-16)14-20-6-4-3-5-19(20)11-22-21(24)8-7-18-9-10-26-15-18/h3-6,9-10,15-17H,7-8,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 372.53 g/mol, XLogP of 3.61, 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]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 47042309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).