N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide

C19H18N2O4S — CID 87108183

IUPACN-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1ccc(OCCCNC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H18N2O4S/c22-18(21-24)13-6-8-15(9-7-13)25-11-3-10-20-19(23)17-12-14-4-1-2-5-16(14)26-17/h1-2,4-9,12,24H,3,10-11H2,(H,20,23)(H,21,22)
InChIKeyFBVVIOAKCVUDAH-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.22
Rot. Bonds7

About N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide

N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide (PubChem CID 87108183) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
PubChem CID87108183
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1ccc(OCCCNC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H18N2O4S/c22-18(21-24)13-6-8-15(9-7-13)25-11-3-10-20-19(23)17-12-14-4-1-2-5-16(14)26-17/h1-2,4-9,12,24H,3,10-11H2,(H,20,23)(H,21,22)
InChIKeyFBVVIOAKCVUDAH-UHFFFAOYSA-N
XLogP3.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-1-benzothiophene-2-carboxamide
CID 87641192
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
CID 58968977
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide (CID 87108183) is N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide is O=C(NO)c1ccc(OCCCNC(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FBVVIOAKCVUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-18(21-24)13-6-8-15(9-7-13)25-11-3-10-20-19(23)17-12-14-4-1-2-5-16(14)26-17/h1-2,4-9,12,24H,3,10-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide?
N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 87108183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).