N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide

C18H17NO2S — CID 129283328

IUPACN-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide
SMILESCC(C)c1ccc(-c2cc3cc(C(=O)NO)ccc3s2)cc1
InChIInChI=1S/C18H17NO2S/c1-11(2)12-3-5-13(6-4-12)17-10-15-9-14(18(20)19-21)7-8-16(15)22-17/h3-11,21H,1-2H3,(H,19,20)
InChIKeyYIHDPUFALLFOEE-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.81
Rot. Bonds3

About N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide

N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide (PubChem CID 129283328) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide
PubChem CID129283328
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide
SMILESCC(C)c1ccc(-c2cc3cc(C(=O)NO)ccc3s2)cc1
InChIInChI=1S/C18H17NO2S/c1-11(2)12-3-5-13(6-4-12)17-10-15-9-14(18(20)19-21)7-8-16(15)22-17/h3-11,21H,1-2H3,(H,19,20)
InChIKeyYIHDPUFALLFOEE-UHFFFAOYSA-N
XLogP4.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide (CID 129283328) is N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide is CC(C)c1ccc(-c2cc3cc(C(=O)NO)ccc3s2)cc1.
What is the InChIKey of N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide?
The InChIKey is YIHDPUFALLFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-11(2)12-3-5-13(6-4-12)17-10-15-9-14(18(20)19-21)7-8-16(15)22-17/h3-11,21H,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide?
N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-propan-2-ylphenyl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 129283328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).