2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H24N4O6S — CID 18205489

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O
InChIInChI=1S/C19H24N4O6S/c1-2-3-11-22-17(25)18(26)23(19(22)27)13-16(24)20-14-7-6-8-15(12-14)30(28,29)21-9-4-5-10-21/h6-8,12H,2-5,9-11,13H2,1H3,(H,20,24)
InChIKeyPMTRJMFENCHXPA-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.00
Rot. Bonds8

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 18205489) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID18205489
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O
InChIInChI=1S/C19H24N4O6S/c1-2-3-11-22-17(25)18(26)23(19(22)27)13-16(24)20-14-7-6-8-15(12-14)30(28,29)21-9-4-5-10-21/h6-8,12H,2-5,9-11,13H2,1H3,(H,20,24)
InChIKeyPMTRJMFENCHXPA-UHFFFAOYSA-N
XLogP1.00
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylcyclohexyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42900159
2-butyl-1,3-dioxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16591807
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4968274
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 18205489) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PMTRJMFENCHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-2-3-11-22-17(25)18(26)23(19(22)27)13-16(24)20-14-7-6-8-15(12-14)30(28,29)21-9-4-5-10-21/h6-8,12H,2-5,9-11,13H2,1H3,(H,20,24).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 18205489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).