N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide

C21H25FN2O2S — CID 43064031

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H25FN2O2S/c22-18-6-8-20(9-7-18)27-13-10-21(25)23-14-19-16-24(11-12-26-19)15-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,23,25)
InChIKeyIHMMTTUVAHLPKF-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.33
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 43064031) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID43064031
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H25FN2O2S/c22-18-6-8-20(9-7-18)27-13-10-21(25)23-14-19-16-24(11-12-26-19)15-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,23,25)
InChIKeyIHMMTTUVAHLPKF-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
CID 59866910
CID 59866910
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 35053989
N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24575470
N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43008733
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 43064031) is N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is IHMMTTUVAHLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c22-18-6-8-20(9-7-18)27-13-10-21(25)23-14-19-16-24(11-12-26-19)15-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,23,25).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 388.51 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 43064031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).