6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide

C17H14N2O3S — CID 11359309

IUPAC6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-13-9-15(17(21)19-22)23-14(13)8-11/h1-9,22H,10H2,(H,18,20)(H,19,21)
InChIKeyJQVJXWAPKIYOCA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.95
Rot. Bonds4

About 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide

6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11359309) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11359309
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-13-9-15(17(21)19-22)23-14(13)8-11/h1-9,22H,10H2,(H,18,20)(H,19,21)
InChIKeyJQVJXWAPKIYOCA-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
4-[5-(Cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 138857432
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247020
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
N-hydroxy-5-((phenethylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 11438800
N-hydroxy-6-((2-phenylacetamido)methyl)benzo[b]thiophene-2-carboxamide
CID 11772176
N-hydroxy-6-((phenylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 44440687
6-((benzylamino)methyl)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 44440689
5-((benzylamino)methyl)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 44440691
N-hydroxy-6-((phenethylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 44440692
6-N-benzyl-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
CID 44457031

Frequently Asked Questions

What is the IUPAC name of 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11359309) is 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NCc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1.
What is the InChIKey of 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is JQVJXWAPKIYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-13-9-15(17(21)19-22)23-14(13)8-11/h1-9,22H,10H2,(H,18,20)(H,19,21).
What are the key properties of 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzamidomethyl)-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11359309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).