2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid

C19H19N3O6S — CID 21453212

IUPAC2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C(=O)O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19N3O6S/c1-13-7-9-15(10-8-13)29(27,28)22-12-11-21(19(22)26)18(25)20-16(17(23)24)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,25)(H,23,24)
InChIKeyVLPQMSTUZNJUPG-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.96
Rot. Bonds5

About 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid

2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid (PubChem CID 21453212) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
PubChem CID21453212
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C(=O)O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19N3O6S/c1-13-7-9-15(10-8-13)29(27,28)22-12-11-21(19(22)26)18(25)20-16(17(23)24)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,25)(H,23,24)
InChIKeyVLPQMSTUZNJUPG-UHFFFAOYSA-N
XLogP1.96
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 21453167
2-[(4-hexyl-2-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70620389
1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 44602022
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
CID 21444695
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
2-[(3-formyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid
CID 21453109
CID 171042989
CID 171042989
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
(2R)-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 106315869
(2R)-2-[[4-(benzylideneamino)-2,3-dioxopiperazine-1-carbonyl]amino]-2-phenylacetic acid
CID 54235959

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid (CID 21453212) is 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C(=O)O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is VLPQMSTUZNJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-13-7-9-15(10-8-13)29(27,28)22-12-11-21(19(22)26)18(25)20-16(17(23)24)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 417.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21453212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).