2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide

C15H16N2O4S — CID 10064609

IUPAC2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NC(CCO)c2ccccc2)s1
InChIInChI=1S/C15H16N2O4S/c18-9-8-11(10-4-2-1-3-5-10)16-14(19)12-6-7-13(22-12)15(20)17-21/h1-7,11,18,21H,8-9H2,(H,16,19)(H,17,20)
InChIKeyXWNKGHKCFNDPQE-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.72
Rot. Bonds6

About 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide

2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide (PubChem CID 10064609) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
PubChem CID10064609
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NC(CCO)c2ccccc2)s1
InChIInChI=1S/C15H16N2O4S/c18-9-8-11(10-4-2-1-3-5-10)16-14(19)12-6-7-13(22-12)15(20)17-21/h1-7,11,18,21H,8-9H2,(H,16,19)(H,17,20)
InChIKeyXWNKGHKCFNDPQE-UHFFFAOYSA-N
XLogP1.72
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
CID 8938472
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide
CID 24655748
N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
CID 149225632

Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide (CID 10064609) is 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide is O=C(NO)c1ccc(C(=O)NC(CCO)c2ccccc2)s1.
What is the InChIKey of 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide?
The InChIKey is XWNKGHKCFNDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-9-8-11(10-4-2-1-3-5-10)16-14(19)12-6-7-13(22-12)15(20)17-21/h1-7,11,18,21H,8-9H2,(H,16,19)(H,17,20).
What are the key properties of 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide?
2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 10064609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).