(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide

C22H26N4O4S — CID 136759335

IUPAC(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N4O4S/c1-13(17-9-5-7-11-19(17)27)23-25-21(29)15(3)31-16(4)22(30)26-24-14(2)18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4H3,(H,25,29)(H,26,30)/b23-13-,24-14-/t15-,16-/m0/s1
InChIKeyLCPLTURMCNZSNV-JBHTYQCFSA-N
MW442.54 g/mol
LogP2.99
Rot. Bonds8

About (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide

(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide (PubChem CID 136759335) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
PubChem CID136759335
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N4O4S/c1-13(17-9-5-7-11-19(17)27)23-25-21(29)15(3)31-16(4)22(30)26-24-14(2)18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4H3,(H,25,29)(H,26,30)/b23-13-,24-14-/t15-,16-/m0/s1
InChIKeyLCPLTURMCNZSNV-JBHTYQCFSA-N
XLogP2.99
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 135726806
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 4230731
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135794374
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 135615501
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 4925144
N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
molecular hydrogen;2-[1-oxo-1-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]propanamide
CID 172959555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide (CID 136759335) is (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide is C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide?
The InChIKey is LCPLTURMCNZSNV-JBHTYQCFSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-13(17-9-5-7-11-19(17)27)23-25-21(29)15(3)31-16(4)22(30)26-24-14(2)18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4H3,(H,25,29)(H,26,30)/b23-13-,24-14-/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide?
(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide has a molecular weight of 442.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide is sourced from PubChem (CID 136759335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).