2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide

C21H27N3O3S — CID 86886985

IUPAC2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-19-12-10-18(11-13-19)22-21(25)20(24-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23H,2,6-7,14-16H2,1H3,(H,22,25)
InChIKeyQHPPSUICXUGTLU-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.61
Rot. Bonds8

About 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide

2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 86886985) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID86886985
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-19-12-10-18(11-13-19)22-21(25)20(24-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23H,2,6-7,14-16H2,1H3,(H,22,25)
InChIKeyQHPPSUICXUGTLU-UHFFFAOYSA-N
XLogP3.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 16597867
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86934038
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86885500
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide (CID 86886985) is 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide is CCCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is QHPPSUICXUGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-19-12-10-18(11-13-19)22-21(25)20(24-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23H,2,6-7,14-16H2,1H3,(H,22,25).
What are the key properties of 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 401.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86886985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).