4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

C18H19N3O4S — CID 122246136

IUPAC4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(22)15-4-6-16(7-5-15)26(24,25)20-12-14-8-9-19-17(11-14)21-10-2-3-18(21)23/h4-9,11,20H,2-3,10,12H2,1H3
InChIKeyLMUNHLBRINJUEP-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.89
Rot. Bonds6

About 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122246136) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID122246136
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(22)15-4-6-16(7-5-15)26(24,25)20-12-14-8-9-19-17(11-14)21-10-2-3-18(21)23/h4-9,11,20H,2-3,10,12H2,1H3
InChIKeyLMUNHLBRINJUEP-UHFFFAOYSA-N
XLogP1.89
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246143
4-[(2-morpholin-4-yl-4-pyridinyl)methylsulfamoyl]benzamide
CID 55598355
3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 122246051
4-(2,3-dihydro-1H-inden-5-ylmethylsulfamoyl)benzoic acid
CID 110780398
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
4-bromo-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913754
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (CID 122246136) is 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is LMUNHLBRINJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13(22)15-4-6-16(7-5-15)26(24,25)20-12-14-8-9-19-17(11-14)21-10-2-3-18(21)23/h4-9,11,20H,2-3,10,12H2,1H3.
What are the key properties of 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122246136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).