N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide

C19H18N2O3S — CID 11485016

IUPACN-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide
SMILESCCC(C(=O)Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C19H18N2O3S/c1-2-15(12-6-4-3-5-7-12)18(22)20-14-9-8-13-10-17(19(23)21-24)25-16(13)11-14/h3-11,15,24H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyRRHNDQPNOZYWGS-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.15
Rot. Bonds5

About N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11485016) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide
PubChem CID11485016
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide
SMILESCCC(C(=O)Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C19H18N2O3S/c1-2-15(12-6-4-3-5-7-12)18(22)20-14-9-8-13-10-17(19(23)21-24)25-16(13)11-14/h3-11,15,24H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyRRHNDQPNOZYWGS-UHFFFAOYSA-N
XLogP4.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.15
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-(2-phenylbutanoylamino)-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-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide (CID 11485016) is N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide is CCC(C(=O)Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1.
What is the InChIKey of N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is RRHNDQPNOZYWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-15(12-6-4-3-5-7-12)18(22)20-14-9-8-13-10-17(19(23)21-24)25-16(13)11-14/h3-11,15,24H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11485016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).