2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide

C24H33N3O4S — CID 23594227

IUPAC2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
SMILESCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
InChIKeyVLUBSONQHCTUPR-XZOQPEGZSA-N
MW459.61 g/mol
LogP1.93
Rot. Bonds10

About 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide

2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide (PubChem CID 23594227) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
PubChem CID23594227
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
SMILESCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
InChIKeyVLUBSONQHCTUPR-XZOQPEGZSA-N
XLogP1.93
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide
CID 10342726
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-2-[4-(methanesulfonylamino-methyl)-phenyl]-N-methyl-acetamide
CID 11201660
2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
CID 23594225
2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 11270347
2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phenyl}-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
CID 23594220
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[4-[2-(methanesulfonamido)ethyl]phenyl]-N-methylacetamide
CID 23594230
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[4-[3-(methanesulfonamido)propyl]phenyl]-N-methylacetamide
CID 23594232
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(propane-1-sulfonylamino)-methyl]-phenyl}-acetamide
CID 23594241
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(propane-2-sulfonylamino)-methyl]-phenyl}-acetamide
CID 23594243
2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
CID 23594223
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(toluene-4-sulfonylamino)-methyl]-phenyl}-acetamide
CID 23594247
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-[4-(phenylmethanesulfonylamino-methyl)-phenyl]-acetamide
CID 44399493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide (CID 23594227) is 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide is CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide?
The InChIKey is VLUBSONQHCTUPR-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1.
What are the key properties of 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide?
2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide has a molecular weight of 459.61 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(ethylsulfonylamino)methyl]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide is sourced from PubChem (CID 23594227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).