3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide

C22H27FN2O3S — CID 48693432

IUPAC3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27FN2O3S/c23-20-6-1-2-7-21(20)29-15-8-22(26)24-17-18-4-3-5-19(16-18)28-14-11-25-9-12-27-13-10-25/h1-7,16H,8-15,17H2,(H,24,26)
InChIKeyNHNSDNJQYFRXAT-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.34
Rot. Bonds10

About 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide (PubChem CID 48693432) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
PubChem CID48693432
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27FN2O3S/c23-20-6-1-2-7-21(20)29-15-8-22(26)24-17-18-4-3-5-19(16-18)28-14-11-25-9-12-27-13-10-25/h1-7,16H,8-15,17H2,(H,24,26)
InChIKeyNHNSDNJQYFRXAT-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 48626554
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513467
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111844759
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 119865335

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide (CID 48693432) is 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide is O=C(CCSc1ccccc1F)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The InChIKey is NHNSDNJQYFRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c23-20-6-1-2-7-21(20)29-15-8-22(26)24-17-18-4-3-5-19(16-18)28-14-11-25-9-12-27-13-10-25/h1-7,16H,8-15,17H2,(H,24,26).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide has a molecular weight of 418.53 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 48693432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).