N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

C16H18N2O3S2 — CID 16919844

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-15-9-14(10-17-23(20,21)16-7-4-8-22-16)12-18(15)11-13-5-2-1-3-6-13/h1-8,14,17H,9-12H2
InChIKeyYPIQNOYDSWSNTQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.08
Rot. Bonds6

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 16919844) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID16919844
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-15-9-14(10-17-23(20,21)16-7-4-8-22-16)12-18(15)11-13-5-2-1-3-6-13/h1-8,14,17H,9-12H2
InChIKeyYPIQNOYDSWSNTQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95275479
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 16919832
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 16919684
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16919846
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (CID 16919844) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is O=C1CC(CNS(=O)(=O)c2cccs2)CN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YPIQNOYDSWSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-15-9-14(10-17-23(20,21)16-7-4-8-22-16)12-18(15)11-13-5-2-1-3-6-13/h1-8,14,17H,9-12H2.
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16919844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).