N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide

C19H25N3O2S — CID 58924448

IUPACN-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2cccc(CNCCN3CCCCC3)c2)s1
InChIInChI=1S/C19H25N3O2S/c23-19(21-24)18-8-7-17(25-18)16-6-4-5-15(13-16)14-20-9-12-22-10-2-1-3-11-22/h4-8,13,20,24H,1-3,9-12,14H2,(H,21,23)
InChIKeyWNTTVWNRHILLFD-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.11
Rot. Bonds7

About N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide

N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 58924448) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
PubChem CID58924448
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2cccc(CNCCN3CCCCC3)c2)s1
InChIInChI=1S/C19H25N3O2S/c23-19(21-24)18-8-7-17(25-18)16-6-4-5-15(13-16)14-20-9-12-22-10-2-1-3-11-22/h4-8,13,20,24H,1-3,9-12,14H2,(H,21,23)
InChIKeyWNTTVWNRHILLFD-UHFFFAOYSA-N
XLogP3.11
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-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

Related Compounds

5-(2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-N-hydroxythiophene-2-carboxamide
CID 58924495
2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 139963138
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
5-[3-[[(4-fluorophenyl)methylamino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 44523787
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-(2-pyrrolidin-1-ylethyl)-2-[3-[3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]phenyl]acetamide;dihydrochloride
CID 139963174
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide (CID 58924448) is N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide is O=C(NO)c1ccc(-c2cccc(CNCCN3CCCCC3)c2)s1.
What is the InChIKey of N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WNTTVWNRHILLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-19(21-24)18-8-7-17(25-18)16-6-4-5-15(13-16)14-20-9-12-22-10-2-1-3-11-22/h4-8,13,20,24H,1-3,9-12,14H2,(H,21,23).
What are the key properties of N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide?
N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 58924448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).