(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide

C24H30N4O5S — CID 40775783

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H30N4O5S/c1-33-22-9-7-21(8-10-22)28-18-19(17-23(28)29)24(30)25-11-16-34(31,32)27-14-12-26(13-15-27)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,25,30)/t19-/m1/s1
InChIKeyCPXHMXFSONYXHI-LJQANCHMSA-N
MW486.59 g/mol
LogP1.32
Rot. Bonds8

About (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide (PubChem CID 40775783) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
PubChem CID40775783
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H30N4O5S/c1-33-22-9-7-21(8-10-22)28-18-19(17-23(28)29)24(30)25-11-16-34(31,32)27-14-12-26(13-15-27)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,25,30)/t19-/m1/s1
InChIKeyCPXHMXFSONYXHI-LJQANCHMSA-N
XLogP1.32
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40775758
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41234149
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
CID 74235590
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55735049
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16881129
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3R)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294283
(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294281

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide (CID 40775783) is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide?
The InChIKey is CPXHMXFSONYXHI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-33-22-9-7-21(8-10-22)28-18-19(17-23(28)29)24(30)25-11-16-34(31,32)27-14-12-26(13-15-27)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,25,30)/t19-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).