N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

C25H26N2O3S — CID 86934038

IUPACN-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H26N2O3S/c28-25(24(27-16-7-8-17-27)21-11-3-1-4-12-21)26-22-13-9-10-20(18-22)19-31(29,30)23-14-5-2-6-15-23/h1-6,9-15,18,24H,7-8,16-17,19H2,(H,26,28)
InChIKeyQGFHGFAGZNGBFM-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.44
Rot. Bonds7

About N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 86934038) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID86934038
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H26N2O3S/c28-25(24(27-16-7-8-17-27)21-11-3-1-4-12-21)26-22-13-9-10-20(18-22)19-31(29,30)23-14-5-2-6-15-23/h1-6,9-15,18,24H,7-8,16-17,19H2,(H,26,28)
InChIKeyQGFHGFAGZNGBFM-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 92613321
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
1-[3-(methylsulfonylmethyl)phenyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60603381
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 86934038) is N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is QGFHGFAGZNGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(24(27-16-7-8-17-27)21-11-3-1-4-12-21)26-22-13-9-10-20(18-22)19-31(29,30)23-14-5-2-6-15-23/h1-6,9-15,18,24H,7-8,16-17,19H2,(H,26,28).
What are the key properties of N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 434.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86934038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).