2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide

C22H24ClN3O7S — CID 18459299

IUPAC2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide
SMILESCN1CC(=O)N(CCCC(O)(CS(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)C(=O)NO)C1=O
InChIInChI=1S/C22H24ClN3O7S/c1-25-13-19(27)26(21(25)29)11-5-10-22(30,20(28)24-31)14-34(32,33)18-12-16(23)8-9-17(18)15-6-3-2-4-7-15/h2-4,6-9,12,30-31H,5,10-11,13-14H2,1H3,(H,24,28)
InChIKeySYEYWTLEOTYMEG-UHFFFAOYSA-N
MW509.97 g/mol
LogP1.69
Rot. Bonds9

About 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide

2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide (PubChem CID 18459299) has the molecular formula C22H24ClN3O7S and a molecular weight of 509.97 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide
PubChem CID18459299
Molecular FormulaC22H24ClN3O7S
Molecular Weight509.97 g/mol
Exact Mass509.10
IUPAC Name2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide
SMILESCN1CC(=O)N(CCCC(O)(CS(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)C(=O)NO)C1=O
InChIInChI=1S/C22H24ClN3O7S/c1-25-13-19(27)26(21(25)29)11-5-10-22(30,20(28)24-31)14-34(32,33)18-12-16(23)8-9-17(18)15-6-3-2-4-7-15/h2-4,6-9,12,30-31H,5,10-11,13-14H2,1H3,(H,24,28)
InChIKeySYEYWTLEOTYMEG-UHFFFAOYSA-N
XLogP1.69
TPSA144.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide?
The IUPAC name of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide (CID 18459299) is 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide.
What is the SMILES notation for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide?
The canonical SMILES for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide is CN1CC(=O)N(CCCC(O)(CS(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)C(=O)NO)C1=O.
What is the InChIKey of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide?
The InChIKey is SYEYWTLEOTYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O7S/c1-25-13-19(27)26(21(25)29)11-5-10-22(30,20(28)24-31)14-34(32,33)18-12-16(23)8-9-17(18)15-6-3-2-4-7-15/h2-4,6-9,12,30-31H,5,10-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide?
2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide has a molecular weight of 509.97 g/mol, XLogP of 1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-N,2-dihydroxy-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanamide is sourced from PubChem (CID 18459299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).