N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide

C19H18N2O3S — CID 71712312

IUPACN-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)CCc1ccccc1)c1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C19H18N2O3S/c1-21(18(22)10-7-13-5-3-2-4-6-13)15-8-9-16-14(11-15)12-17(25-16)19(23)20-24/h2-6,8-9,11-12,24H,7,10H2,1H3,(H,20,23)
InChIKeyHRYUQNXSAAXJQM-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.62
Rot. Bonds5

About N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide

N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 71712312) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID71712312
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)CCc1ccccc1)c1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C19H18N2O3S/c1-21(18(22)10-7-13-5-3-2-4-6-13)15-8-9-16-14(11-15)12-17(25-16)19(23)20-24/h2-6,8-9,11-12,24H,7,10H2,1H3,(H,20,23)
InChIKeyHRYUQNXSAAXJQM-UHFFFAOYSA-N
XLogP3.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.62
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'}

Analyze N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-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-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide (CID 71712312) is N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide is CN(C(=O)CCc1ccccc1)c1ccc2sc(C(=O)NO)cc2c1.
What is the InChIKey of N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is HRYUQNXSAAXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-21(18(22)10-7-13-5-3-2-4-6-13)15-8-9-16-14(11-15)12-17(25-16)19(23)20-24/h2-6,8-9,11-12,24H,7,10H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[methyl(3-phenylpropanoyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71712312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).