2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide

C16H21FN2O3S — CID 95894363

IUPAC2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide
SMILESNC(=O)C[C@H]1COCCN1C(=O)CCSCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c17-13-3-1-12(2-4-13)11-23-8-5-16(21)19-6-7-22-10-14(19)9-15(18)20/h1-4,14H,5-11H2,(H2,18,20)/t14-/m0/s1
InChIKeyYPBYTLIQYXRBKO-AWEZNQCLSA-N
MW340.42 g/mol
LogP1.55
Rot. Bonds7

About 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide

2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide (PubChem CID 95894363) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide
PubChem CID95894363
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide
SMILESNC(=O)C[C@H]1COCCN1C(=O)CCSCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c17-13-3-1-12(2-4-13)11-23-8-5-16(21)19-6-7-22-10-14(19)9-15(18)20/h1-4,14H,5-11H2,(H2,18,20)/t14-/m0/s1
InChIKeyYPBYTLIQYXRBKO-AWEZNQCLSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
1-(4-ethoxypiperidin-1-yl)-3-[(4-fluorophenyl)methylsulfanyl]propan-1-one
CID 50971180
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one
CID 4086403
2-[4-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56908769
(1R,5R)-6-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72926342
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
1-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]piperidine-3-carboxylic acid
CID 53216073
3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one
CID 95882908
2-[4-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56883943
4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591050
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide (CID 95894363) is 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide is NC(=O)C[C@H]1COCCN1C(=O)CCSCc1ccc(F)cc1.
What is the InChIKey of 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide?
The InChIKey is YPBYTLIQYXRBKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-13-3-1-12(2-4-13)11-23-8-5-16(21)19-6-7-22-10-14(19)9-15(18)20/h1-4,14H,5-11H2,(H2,18,20)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide?
2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[3-[(4-fluorophenyl)methylsulfanyl]propanoyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95894363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).