4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

C20H20N2O3S3 — CID 24511008

IUPAC4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H20N2O3S3/c23-20-6-1-11-22(20)16-7-9-19(10-8-16)28(24,25)21(14-17-4-2-12-26-17)15-18-5-3-13-27-18/h2-5,7-10,12-13H,1,6,11,14-15H2
InChIKeyCJROYGGQGJXGPX-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.33
Rot. Bonds7

About 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 24511008) has the molecular formula C20H20N2O3S3 and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID24511008
Molecular FormulaC20H20N2O3S3
Molecular Weight432.59 g/mol
Exact Mass432.06
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H20N2O3S3/c23-20-6-1-11-22(20)16-7-9-19(10-8-16)28(24,25)21(14-17-4-2-12-26-17)15-18-5-3-13-27-18/h2-5,7-10,12-13H,1,6,11,14-15H2
InChIKeyCJROYGGQGJXGPX-UHFFFAOYSA-N
XLogP4.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 75533638
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (CID 24511008) is 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is CJROYGGQGJXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S3/c23-20-6-1-11-22(20)16-7-9-19(10-8-16)28(24,25)21(14-17-4-2-12-26-17)15-18-5-3-13-27-18/h2-5,7-10,12-13H,1,6,11,14-15H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 24511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).