3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide

C21H25FN2O2S — CID 52811003

IUPAC3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide
SMILESO=C(CCSc1ccccc1F)N(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2S/c22-19-8-4-5-9-20(19)27-17-10-21(25)24(18-6-2-1-3-7-18)12-11-23-13-15-26-16-14-23/h1-9H,10-17H2
InChIKeyFAXVOLQTNLVIEV-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.67
Rot. Bonds8

About 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide

3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide (PubChem CID 52811003) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide
PubChem CID52811003
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide
SMILESO=C(CCSc1ccccc1F)N(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2S/c22-19-8-4-5-9-20(19)27-17-10-21(25)24(18-6-2-1-3-7-18)12-11-23-13-15-26-16-14-23/h1-9H,10-17H2
InChIKeyFAXVOLQTNLVIEV-UHFFFAOYSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 60622352
3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48693432
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide
CID 43997322
2,4-dichloro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 99181718
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylsulfanylpropanamide
CID 29278429
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide;hydrochloride
CID 44934893
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
3-[3-(2-fluorophenyl)sulfanylpropanoyl-propan-2-ylamino]propanoic acid
CID 60831415
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide (CID 52811003) is 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide is O=C(CCSc1ccccc1F)N(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide?
The InChIKey is FAXVOLQTNLVIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c22-19-8-4-5-9-20(19)27-17-10-21(25)24(18-6-2-1-3-7-18)12-11-23-13-15-26-16-14-23/h1-9H,10-17H2.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide?
3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide has a molecular weight of 388.51 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide is sourced from PubChem (CID 52811003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).