(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H21N3O4S2 — CID 29137343

IUPAC(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N3O4S2/c23-17-13-15(14-22(17)16-5-2-1-3-6-16)19(24)20-8-10-21(11-9-20)28(25,26)18-7-4-12-27-18/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
InChIKeyQLBDINPYRZMLFY-HNNXBMFYSA-N
MW419.53 g/mol
LogP1.63
Rot. Bonds4

About (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 29137343) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID29137343
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N3O4S2/c23-17-13-15(14-22(17)16-5-2-1-3-6-16)19(24)20-8-10-21(11-9-20)28(25,26)18-7-4-12-27-18/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
InChIKeyQLBDINPYRZMLFY-HNNXBMFYSA-N
XLogP1.63
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42652474
(4R)-1-(2-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 41013683
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9496421
1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 46687087
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 43059108
4-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepane-4-carbonyl)-1-phenylpyrrolidin-2-one
CID 121191465
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989

Frequently Asked Questions

What is the IUPAC name of (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 29137343) is (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is QLBDINPYRZMLFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c23-17-13-15(14-22(17)16-5-2-1-3-6-16)19(24)20-8-10-21(11-9-20)28(25,26)18-7-4-12-27-18/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1.
What are the key properties of (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 419.53 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 29137343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).