5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide

C19H16N2O3S — CID 58968960

IUPAC5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2ccc(C(=O)NO)s2)cc1
InChIInChI=1S/C19H16N2O3S/c22-18(20-12-13-4-2-1-3-5-13)15-8-6-14(7-9-15)16-10-11-17(25-16)19(23)21-24/h1-11,24H,12H2,(H,20,22)(H,21,23)
InChIKeyJPILPEFVZQOTEE-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.46
Rot. Bonds5

About 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide

5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 58968960) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
PubChem CID58968960
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2ccc(C(=O)NO)s2)cc1
InChIInChI=1S/C19H16N2O3S/c22-18(20-12-13-4-2-1-3-5-13)15-8-6-14(7-9-15)16-10-11-17(25-16)19(23)21-24/h1-11,24H,12H2,(H,20,22)(H,21,23)
InChIKeyJPILPEFVZQOTEE-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.46
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'}

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Related Compounds

N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide (CID 58968960) is 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide is O=C(NCc1ccccc1)c1ccc(-c2ccc(C(=O)NO)s2)cc1.
What is the InChIKey of 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is JPILPEFVZQOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(20-12-13-4-2-1-3-5-13)15-8-6-14(7-9-15)16-10-11-17(25-16)19(23)21-24/h1-11,24H,12H2,(H,20,22)(H,21,23).
What are the key properties of 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide?
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 58968960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).