3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

C18H24N4O3S — CID 110640246

IUPAC3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N4O3S/c1-13-18(14(2)21-20-13)26(24,25)19-11-16-10-17(23)22(12-16)9-8-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3,(H,20,21)
InChIKeyFTJPRCXEMRDITB-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.40
Rot. Bonds7

About 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110640246) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID110640246
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N4O3S/c1-13-18(14(2)21-20-13)26(24,25)19-11-16-10-17(23)22(12-16)9-8-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3,(H,20,21)
InChIKeyFTJPRCXEMRDITB-UHFFFAOYSA-N
XLogP1.40
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 110640246) is 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FTJPRCXEMRDITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-18(14(2)21-20-13)26(24,25)19-11-16-10-17(23)22(12-16)9-8-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3,(H,20,21).
What are the key properties of 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110640246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).