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

C22H23ClN4O6S — CID 25361483

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H23ClN4O6S/c23-17-7-6-16(34(31,32)26-8-10-33-11-9-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-4-2-1-3-5-15/h1-7,13,19H,8-12,14H2,(H,24,28)(H,25,30)/t19-/m0/s1
InChIKeySIUGFKHNYHTVGI-IBGZPJMESA-N
MW506.97 g/mol
LogP1.46
Rot. Bonds7

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

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 25361483) has the molecular formula C22H23ClN4O6S and a molecular weight of 506.97 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID25361483
Molecular FormulaC22H23ClN4O6S
Molecular Weight506.97 g/mol
Exact Mass506.10
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H23ClN4O6S/c23-17-7-6-16(34(31,32)26-8-10-33-11-9-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-4-2-1-3-5-15/h1-7,13,19H,8-12,14H2,(H,24,28)(H,25,30)/t19-/m0/s1
InChIKeySIUGFKHNYHTVGI-IBGZPJMESA-N
XLogP1.46
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 40985035
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581577
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4855437
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
CID 108876509
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 25361483) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SIUGFKHNYHTVGI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23ClN4O6S/c23-17-7-6-16(34(31,32)26-8-10-33-11-9-26)13-18(17)24-20(28)14-27-21(29)19(25-22(27)30)12-15-4-2-1-3-5-15/h1-7,13,19H,8-12,14H2,(H,24,28)(H,25,30)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 506.97 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 25361483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).