N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C26H32N4O5S — CID 24978755

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)C1=O
InChIInChI=1S/C26H32N4O5S/c1-4-26(20-8-6-5-7-9-20)24(32)30(25(33)28-26)17-23(31)27-21-10-12-22(13-11-21)36(34,35)29-15-18(2)14-19(3)16-29/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyBOEQDYVNNIZLQF-UHFFFAOYSA-N
MW512.63 g/mol
LogP3.15
Rot. Bonds7

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24978755) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24978755
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)C1=O
InChIInChI=1S/C26H32N4O5S/c1-4-26(20-8-6-5-7-9-20)24(32)30(25(33)28-26)17-23(31)27-21-10-12-22(13-11-21)36(34,35)29-15-18(2)14-19(3)16-29/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyBOEQDYVNNIZLQF-UHFFFAOYSA-N
XLogP3.15
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24978755) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)C1=O.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is BOEQDYVNNIZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-4-26(20-8-6-5-7-9-20)24(32)30(25(33)28-26)17-23(31)27-21-10-12-22(13-11-21)36(34,35)29-15-18(2)14-19(3)16-29/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,31)(H,28,33).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 512.63 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24978755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).