2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H23ClN4O5S — CID 40985035

IUPAC2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H23ClN4O5S/c23-17-9-8-16(33(31,32)26-10-4-5-11-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-6-2-1-3-7-15/h1-3,6-9,13,19H,4-5,10-12,14H2,(H,24,28)(H,25,30)/t19-/m1/s1
InChIKeyWLZWPEZWXDEZDK-LJQANCHMSA-N
MW490.97 g/mol
LogP2.23
Rot. Bonds7

About 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 40985035) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID40985035
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H23ClN4O5S/c23-17-9-8-16(33(31,32)26-10-4-5-11-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-6-2-1-3-7-15/h1-3,6-9,13,19H,4-5,10-12,14H2,(H,24,28)(H,25,30)/t19-/m1/s1
InChIKeyWLZWPEZWXDEZDK-LJQANCHMSA-N
XLogP2.23
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 25361483
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581577
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26012066
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 98420390
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 26888667
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4151787
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(3-methylpyrrolidin-1-yl)acetamide
CID 86879348

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 40985035) is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WLZWPEZWXDEZDK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c23-17-9-8-16(33(31,32)26-10-4-5-11-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-6-2-1-3-7-15/h1-3,6-9,13,19H,4-5,10-12,14H2,(H,24,28)(H,25,30)/t19-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 490.97 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 40985035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).