1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide

C22H25FN4O6S — CID 44961318

IUPAC1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O6S/c23-17-3-1-4-18(14-17)27-15-16(13-20(27)28)21(29)24-6-12-34(31,32)26-9-7-25(8-10-26)22(30)19-5-2-11-33-19/h1-5,11,14,16H,6-10,12-13,15H2,(H,24,29)
InChIKeyPUGXJYDSJUSYOB-UHFFFAOYSA-N
MW492.53 g/mol
LogP0.68
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44961318) has the molecular formula C22H25FN4O6S and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44961318
Molecular FormulaC22H25FN4O6S
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Name1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O6S/c23-17-3-1-4-18(14-17)27-15-16(13-20(27)28)21(29)24-6-12-34(31,32)26-9-7-25(8-10-26)22(30)19-5-2-11-33-19/h1-5,11,14,16H,6-10,12-13,15H2,(H,24,29)
InChIKeyPUGXJYDSJUSYOB-UHFFFAOYSA-N
XLogP0.68
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
CID 74235590
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16881129
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40775758
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 16820026
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41234149
1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (CID 44961318) is 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PUGXJYDSJUSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6S/c23-17-3-1-4-18(14-17)27-15-16(13-20(27)28)21(29)24-6-12-34(31,32)26-9-7-25(8-10-26)22(30)19-5-2-11-33-19/h1-5,11,14,16H,6-10,12-13,15H2,(H,24,29).
What are the key properties of 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44961318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).