prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate

C20H18N2O6S — CID 21472170

IUPACprop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
SMILESC=CCOC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O6S/c1-2-12-28-19(24)13-15-8-10-17(11-9-15)29(26,27)22-18(23)14-21(20(22)25)16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyMRPCKQOQGCPWCL-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.12
Rot. Bonds7

About prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate

prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate (PubChem CID 21472170) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
PubChem CID21472170
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Nameprop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
SMILESC=CCOC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O6S/c1-2-12-28-19(24)13-15-8-10-17(11-9-15)29(26,27)22-18(23)14-21(20(22)25)16-6-4-3-5-7-16/h2-11H,1,12-14H2
InChIKeyMRPCKQOQGCPWCL-UHFFFAOYSA-N
XLogP2.12
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.12
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 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
CID 10739742
methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 10620298
2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472135
3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
CID 10524714
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
prop-2-enyl 2-(4-isocyanatosulfonylphenyl)acetate
CID 22347435
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
CID 21472173
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
CID 67659535

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The IUPAC name of prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate (CID 21472170) is prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate.
What is the SMILES notation for prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The canonical SMILES for prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate is C=CCOC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1.
What is the InChIKey of prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The InChIKey is MRPCKQOQGCPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-2-12-28-19(24)13-15-8-10-17(11-9-15)29(26,27)22-18(23)14-21(20(22)25)16-6-4-3-5-7-16/h2-11H,1,12-14H2.
What are the key properties of prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate has a molecular weight of 414.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate is sourced from PubChem (CID 21472170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).