prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate

C19H16N2O6S — CID 10739742

IUPACprop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
SMILESC=CCOC(=O)c1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O6S/c1-2-12-27-18(23)14-8-10-16(11-9-14)28(25,26)21-17(22)13-20(19(21)24)15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyRAQVPIQDRJHWQG-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.19
Rot. Bonds6

About prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate

prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate (PubChem CID 10739742) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
PubChem CID10739742
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Nameprop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
SMILESC=CCOC(=O)c1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O6S/c1-2-12-27-18(23)14-8-10-16(11-9-14)28(25,26)21-17(22)13-20(19(21)24)15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyRAQVPIQDRJHWQG-UHFFFAOYSA-N
XLogP2.19
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 21472170
2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472135
methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 10620298
3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
CID 10524714
3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoic acid
CID 10737216
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
formic acid;prop-2-enyl benzoate
CID 174813743
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
[(E)-3-phenylprop-2-enyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 8664651
3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
CID 21472173
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The IUPAC name of prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate (CID 10739742) is prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate.
What is the SMILES notation for prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The canonical SMILES for prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate is C=CCOC(=O)c1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1.
What is the InChIKey of prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The InChIKey is RAQVPIQDRJHWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c1-2-12-27-18(23)14-8-10-16(11-9-14)28(25,26)21-17(22)13-20(19(21)24)15-6-4-3-5-7-15/h2-11H,1,12-13H2.
What are the key properties of prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate has a molecular weight of 400.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 10739742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).