N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 15604754

IUPACN-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)CNC(C)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)8-16-10(3)11-4-5-12-7-14(15(18)17-19)20-13(12)6-11/h4-7,9-10,16,19H,8H2,1-3H3,(H,17,18)
InChIKeyZWNAUGFVLZTADY-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds5

About N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 15604754) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID15604754
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)CNC(C)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)8-16-10(3)11-4-5-12-7-14(15(18)17-19)20-13(12)6-11/h4-7,9-10,16,19H,8H2,1-3H3,(H,17,18)
InChIKeyZWNAUGFVLZTADY-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
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'}

Analyze N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 15604754) is N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide is CC(C)CNC(C)c1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZWNAUGFVLZTADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)8-16-10(3)11-4-5-12-7-14(15(18)17-19)20-13(12)6-11/h4-7,9-10,16,19H,8H2,1-3H3,(H,17,18).
What are the key properties of N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 15604754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).