5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

C18H22N2O3S2 — CID 110640237

IUPAC5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC(=O)N(CCc3ccccc3)C2)s1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-8-18(24-14)25(22,23)19-12-16-11-17(21)20(13-16)10-9-15-5-3-2-4-6-15/h2-8,16,19H,9-13H2,1H3
InChIKeyCUBNAUJIISVLHG-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.43
Rot. Bonds7

About 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110640237) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID110640237
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC(=O)N(CCc3ccccc3)C2)s1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-8-18(24-14)25(22,23)19-12-16-11-17(21)20(13-16)10-9-15-5-3-2-4-6-15/h2-8,16,19H,9-13H2,1H3
InChIKeyCUBNAUJIISVLHG-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (CID 110640237) is 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2CC(=O)N(CCc3ccccc3)C2)s1.
What is the InChIKey of 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is CUBNAUJIISVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-8-18(24-14)25(22,23)19-12-16-11-17(21)20(13-16)10-9-15-5-3-2-4-6-15/h2-8,16,19H,9-13H2,1H3.
What are the key properties of 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).