1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

C13H10BrN3O3S — CID 44507406

IUPAC1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)cs2)c1
InChIInChI=1S/C13H10BrN3O3S/c14-10-5-11(21-7-10)6-15-16-12(18)8-2-1-3-9(4-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-6+
InChIKeyWUJVUOPRNCKWPE-GIDUJCDVSA-N
MW368.21 g/mol
LogP2.39
Rot. Bonds4

About 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 44507406) has the molecular formula C13H10BrN3O3S and a molecular weight of 368.21 g/mol. Its IUPAC name is 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID44507406
Molecular FormulaC13H10BrN3O3S
Molecular Weight368.21 g/mol
Exact Mass366.96
IUPAC Name1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)cs2)c1
InChIInChI=1S/C13H10BrN3O3S/c14-10-5-11(21-7-10)6-15-16-12(18)8-2-1-3-9(4-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-6+
InChIKeyWUJVUOPRNCKWPE-GIDUJCDVSA-N
XLogP2.39
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 9232259
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215276
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507546
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]benzamide
CID 88862150
N-[1-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 86771756
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44506519
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 44507406) is 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)cs2)c1.
What is the InChIKey of 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is WUJVUOPRNCKWPE-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H10BrN3O3S/c14-10-5-11(21-7-10)6-15-16-12(18)8-2-1-3-9(4-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-6+.
What are the key properties of 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 368.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 44507406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).