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

C17H26N2O3S — CID 110640225

IUPACN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-3-11-23(21,22)18-13-16-12-17(20)19(14-16)10-9-15-7-5-4-6-8-15/h4-8,16,18H,2-3,9-14H2,1H3
InChIKeyVYSMDGYJMMVANB-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds9

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

N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide (PubChem CID 110640225) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
PubChem CID110640225
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-3-11-23(21,22)18-13-16-12-17(20)19(14-16)10-9-15-7-5-4-6-8-15/h4-8,16,18H,2-3,9-14H2,1H3
InChIKeyVYSMDGYJMMVANB-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 16919832
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 96540819
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902

Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide (CID 110640225) is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide?
The InChIKey is VYSMDGYJMMVANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-3-11-23(21,22)18-13-16-12-17(20)19(14-16)10-9-15-7-5-4-6-8-15/h4-8,16,18H,2-3,9-14H2,1H3.
What are the key properties of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide?
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 110640225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).