N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

C18H18N4O4S — CID 135599010

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N4O4S/c23-15-7-3-1-5-13(15)9-19-21-17(25)11-27-12-18(26)22-20-10-14-6-2-4-8-16(14)24/h1-10,23-24H,11-12H2,(H,21,25)(H,22,26)/b19-9+,20-10+
InChIKeyBJXHONRYWGYJOW-LQGKIZFRSA-N
MW386.43 g/mol
LogP1.43
Rot. Bonds8

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 135599010) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID135599010
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N4O4S/c23-15-7-3-1-5-13(15)9-19-21-17(25)11-27-12-18(26)22-20-10-14-6-2-4-8-16(14)24/h1-10,23-24H,11-12H2,(H,21,25)(H,22,26)/b19-9+,20-10+
InChIKeyBJXHONRYWGYJOW-LQGKIZFRSA-N
XLogP1.43
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 135599010) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is BJXHONRYWGYJOW-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-15-7-3-1-5-13(15)9-19-21-17(25)11-27-12-18(26)22-20-10-14-6-2-4-8-16(14)24/h1-10,23-24H,11-12H2,(H,21,25)(H,22,26)/b19-9+,20-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 386.43 g/mol, XLogP of 1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 135599010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).