N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide

C16H25N3O3S — CID 51107460

IUPACN-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-23(21,22)18-11-10-17-15(14-8-4-3-5-9-14)16(20)19-12-6-7-13-19/h3-5,8-9,15,17-18H,2,6-7,10-13H2,1H3
InChIKeySTYBFDVGQRKGCO-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.88
Rot. Bonds8

About N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide

N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide (PubChem CID 51107460) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
PubChem CID51107460
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-23(21,22)18-11-10-17-15(14-8-4-3-5-9-14)16(20)19-12-6-7-13-19/h3-5,8-9,15,17-18H,2,6-7,10-13H2,1H3
InChIKeySTYBFDVGQRKGCO-UHFFFAOYSA-N
XLogP0.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
CID 110286886
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 110286822
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propane-1-sulfonamide
CID 110287052
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
5-ethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 110286882
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 98758976
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
CID 129223143
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 110306138

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide (CID 51107460) is N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNC(C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide?
The InChIKey is STYBFDVGQRKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-23(21,22)18-11-10-17-15(14-8-4-3-5-9-14)16(20)19-12-6-7-13-19/h3-5,8-9,15,17-18H,2,6-7,10-13H2,1H3.
What are the key properties of N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide?
N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 51107460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).