N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide

C16H11BrN2O3S — CID 136791215

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1sc2ccccc2c1O
InChIInChI=1S/C16H11BrN2O3S/c17-10-5-6-12(20)9(7-10)8-18-19-16(22)15-14(21)11-3-1-2-4-13(11)23-15/h1-8,20-21H,(H,19,22)/b18-8-
InChIKeyUUJFPCIXNFZSKK-LSCVHKIXSA-N
MW391.25 g/mol
LogP3.84
Rot. Bonds3

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 136791215) has the molecular formula C16H11BrN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID136791215
Molecular FormulaC16H11BrN2O3S
Molecular Weight391.25 g/mol
Exact Mass389.97
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1sc2ccccc2c1O
InChIInChI=1S/C16H11BrN2O3S/c17-10-5-6-12(20)9(7-10)8-18-19-16(22)15-14(21)11-3-1-2-4-13(11)23-15/h1-8,20-21H,(H,19,22)/b18-8-
InChIKeyUUJFPCIXNFZSKK-LSCVHKIXSA-N
XLogP3.84
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', '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

N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 136905655
3-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135615009
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 4612158
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135684098
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
N-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 2311570
6-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 137062401
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide (CID 136791215) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide is O=C(N/N=C\c1cc(Br)ccc1O)c1sc2ccccc2c1O.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is UUJFPCIXNFZSKK-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H11BrN2O3S/c17-10-5-6-12(20)9(7-10)8-18-19-16(22)15-14(21)11-3-1-2-4-13(11)23-15/h1-8,20-21H,(H,19,22)/b18-8-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 136791215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).