N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide

C18H18N2O2S — CID 11438800

IUPACN-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(CNCCc3ccccc3)ccc2s1
InChIInChI=1S/C18H18N2O2S/c21-18(20-22)17-11-15-10-14(6-7-16(15)23-17)12-19-9-8-13-4-2-1-3-5-13/h1-7,10-11,19,22H,8-9,12H2,(H,20,21)
InChIKeyFNFUHXMZNGORQQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.35
Rot. Bonds6

About N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide

N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 11438800) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide
PubChem CID11438800
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(CNCCc3ccccc3)ccc2s1
InChIInChI=1S/C18H18N2O2S/c21-18(20-22)17-11-15-10-14(6-7-16(15)23-17)12-19-9-8-13-4-2-1-3-5-13/h1-7,10-11,19,22H,8-9,12H2,(H,20,21)
InChIKeyFNFUHXMZNGORQQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
6-(benzamidomethyl)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11359309
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
N-hydroxy-5-((phenylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 44440688
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
5-N-benzyl-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
CID 44457032
2-N-hydroxy-5-N-phenyl-1-benzothiophene-2,5-dicarboxamide
CID 44457049

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide (CID 11438800) is N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2cc(CNCCc3ccccc3)ccc2s1.
What is the InChIKey of N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FNFUHXMZNGORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-18(20-22)17-11-15-10-14(6-7-16(15)23-17)12-19-9-8-13-4-2-1-3-5-13/h1-7,10-11,19,22H,8-9,12H2,(H,20,21).
What are the key properties of N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide?
N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2-phenylethylamino)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11438800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).