[3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione — IUPAC name, SMILES, InChIKey & properties

Name: [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione

[3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 157290256) has the molecular formula C117H108N16O18S5 and a molecular weight of 2186.58 g/mol. Its IUPAC name is [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	[3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID	157290256
Molecular Formula	C117H108N16O18S5
Molecular Weight	2186.58 g/mol
Exact Mass	2184.66
IUPAC Name	[3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILES	CC(C)[C@H](N)C(=O)OCc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.CCc1ccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)cc1.CCc1ccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)cc1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.O=C1NC(=O)C(c2cnccc2Sc2ccc(OCc3ccccc3CO)cc2)N1
InChI	InChI=1S/C27H28N4O5S.2C23H21N3O3S.C22H19N3O4S.C22H19N3O3S/c1-16(2)23(28)26(33)36-15-18-5-3-4-17(12-18)14-35-19-6-8-20(9-7-19)37-22-10-11-29-13-21(22)24-25(32)31-27(34)30-24;21-2-15-3-5-16(6-4-15)14-29-17-7-9-18(10-8-17)30-20-11-12-24-13-19(20)21-22(27)26-23(28)25-21;26-12-14-3-1-2-4-15(14)13-29-16-5-7-17(8-6-16)30-19-9-10-23-11-18(19)20-21(27)25-22(28)24-20;1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h3-13,16,23-24H,14-15,28H2,1-2H3,(H2,30,31,32,34);23-13,21H,2,14H2,1H3,(H2,25,26,27,28);1-11,20,26H,12-13H2,(H2,24,25,27,28);2-12,20H,13H2,1H3,(H2,24,25,26,27)/t23-,24?;;;;/m0..../s1
InChIKey	BASFXFSXZZXYIT-HJGASXQISA-N
XLogP	19.41
TPSA	474.15 Å²
H-Bond Donors	12
H-Bond Acceptors	29
Rotatable Bonds	37
Heavy Atoms	156
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.58
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Analyze [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?

The IUPAC name of [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (CID 157290256) is [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.

What is the SMILES notation for [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?

The canonical SMILES for [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is CC(C)[C@H](N)C(=O)OCc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.CCc1ccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)cc1.CCc1ccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)cc1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.O=C1NC(=O)C(c2cnccc2Sc2ccc(OCc3ccccc3CO)cc2)N1.

What is the InChIKey of [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?

The InChIKey is BASFXFSXZZXYIT-HJGASXQISA-N. The full InChI is InChI=1S/C27H28N4O5S.2C23H21N3O3S.C22H19N3O4S.C22H19N3O3S/c1-16(2)23(28)26(33)36-15-18-5-3-4-17(12-18)14-35-19-6-8-20(9-7-19)37-22-10-11-29-13-21(22)24-25(32)31-27(34)30-24;2*1-2-15-3-5-16(6-4-15)14-29-17-7-9-18(10-8-17)30-20-11-12-24-13-19(20)21-22(27)26-23(28)25-21;26-12-14-3-1-2-4-15(14)13-29-16-5-7-17(8-6-16)30-19-9-10-23-11-18(19)20-21(27)25-22(28)24-20;1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h3-13,16,23-24H,14-15,28H2,1-2H3,(H2,30,31,32,34);2*3-13,21H,2,14H2,1H3,(H2,25,26,27,28);1-11,20,26H,12-13H2,(H2,24,25,27,28);2-12,20H,13H2,1H3,(H2,24,25,26,27)/t23-,24?;;;;/m0..../s1.

What are the key properties of [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?

Where does this data come from?

All data for [3-[[4-[[3-(2,5-dioxoimidazolidin-4-yl)-4-pyridinyl]sulfanyl]phenoxy]methyl]phenyl]methyl (2S)-2-amino-3-methylbutanoate;bis(5-[4-[4-[(4-ethylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione);5-[4-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157290256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).