4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide

C21H19NO3S — CID 58417207

IUPAC4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc([C@H](CC(=O)c2cc3ccccc3s2)C2CC2)cc1
InChIInChI=1S/C21H19NO3S/c23-18(20-11-16-3-1-2-4-19(16)26-20)12-17(13-5-6-13)14-7-9-15(10-8-14)21(24)22-25/h1-4,7-11,13,17,25H,5-6,12H2,(H,22,24)/t17-/m1/s1
InChIKeyFHZNHUKGYHNGBT-QGZVFWFLSA-N
MW365.45 g/mol
LogP4.79
Rot. Bonds6

About 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide

4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide (PubChem CID 58417207) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide
PubChem CID58417207
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc([C@H](CC(=O)c2cc3ccccc3s2)C2CC2)cc1
InChIInChI=1S/C21H19NO3S/c23-18(20-11-16-3-1-2-4-19(16)26-20)12-17(13-5-6-13)14-7-9-15(10-8-14)21(24)22-25/h1-4,7-11,13,17,25H,5-6,12H2,(H,22,24)/t17-/m1/s1
InChIKeyFHZNHUKGYHNGBT-QGZVFWFLSA-N
XLogP4.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-[cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 87384206
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
1-(1-benzothiophen-2-yl)-3-(4-tert-butylphenyl)propane-1,3-dione
CID 89492280
1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
CID 83136135
N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
CID 87108183
N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595
5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
CID 58968977
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143199386
2-(1-benzothiophene-2-carbonyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide
CID 58465717

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide (CID 58417207) is 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide is O=C(NO)c1ccc([C@H](CC(=O)c2cc3ccccc3s2)C2CC2)cc1.
What is the InChIKey of 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide?
The InChIKey is FHZNHUKGYHNGBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-18(20-11-16-3-1-2-4-19(16)26-20)12-17(13-5-6-13)14-7-9-15(10-8-14)21(24)22-25/h1-4,7-11,13,17,25H,5-6,12H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide?
4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide has a molecular weight of 365.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide is sourced from PubChem (CID 58417207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).