N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide

C18H16N2O3S — CID 11772176

IUPACN-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)NCc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-12-4-2-1-3-5-12)19-11-13-6-7-14-10-16(18(22)20-23)24-15(14)8-13/h1-8,10,23H,9,11H2,(H,19,21)(H,20,22)
InChIKeyOTIYPRBKDBDLBG-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.88
Rot. Bonds5

About N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 11772176) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide
PubChem CID11772176
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)NCc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-12-4-2-1-3-5-12)19-11-13-6-7-14-10-16(18(22)20-23)24-15(14)8-13/h1-8,10,23H,9,11H2,(H,19,21)(H,20,22)
InChIKeyOTIYPRBKDBDLBG-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.88
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-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
4-[5-(Cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 138857432
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
6-(benzamidomethyl)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11359309
N-hydroxy-5-((phenethylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 11438800
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 N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide (CID 11772176) is N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide is O=C(Cc1ccccc1)NCc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OTIYPRBKDBDLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(9-12-4-2-1-3-5-12)19-11-13-6-7-14-10-16(18(22)20-23)24-15(14)8-13/h1-8,10,23H,9,11H2,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[(2-phenylacetyl)amino]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11772176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).