N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C17H22FN3O2S — CID 165434141

IUPACN-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2S/c18-14-1-3-15(4-2-14)19-16(22)12-20-6-5-13(11-20)17(23)21-7-9-24-10-8-21/h1-4,13H,5-12H2,(H,19,22)
InChIKeyJPRQYHMVWJXXPJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.66
Rot. Bonds4

About N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 165434141) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID165434141
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC NameN-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2S/c18-14-1-3-15(4-2-14)19-16(22)12-20-6-5-13(11-20)17(23)21-7-9-24-10-8-21/h1-4,13H,5-12H2,(H,19,22)
InChIKeyJPRQYHMVWJXXPJ-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 165434146
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165433030
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 165434141) is N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JPRQYHMVWJXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c18-14-1-3-15(4-2-14)19-16(22)12-20-6-5-13(11-20)17(23)21-7-9-24-10-8-21/h1-4,13H,5-12H2,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 165434141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).