N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide

C13H12N2O2S — CID 24711478

IUPACN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
SMILESC/C(=N\O)c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C13H12N2O2S/c1-9(15-17)10-2-4-12(5-3-10)14-13(16)11-6-7-18-8-11/h2-8,17H,1H3,(H,14,16)/b15-9+
InChIKeyYGGMRXLAHCSSDG-OQLLNIDSSA-N
MW260.32 g/mol
LogP3.20
Rot. Bonds3

About N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide

N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide (PubChem CID 24711478) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
PubChem CID24711478
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
SMILESC/C(=N\O)c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C13H12N2O2S/c1-9(15-17)10-2-4-12(5-3-10)14-13(16)11-6-7-18-8-11/h2-8,17H,1H3,(H,14,16)/b15-9+
InChIKeyYGGMRXLAHCSSDG-OQLLNIDSSA-N
XLogP3.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
3-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007126
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide (CID 24711478) is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide is C/C(=N\O)c1ccc(NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is YGGMRXLAHCSSDG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9(15-17)10-2-4-12(5-3-10)14-13(16)11-6-7-18-8-11/h2-8,17H,1H3,(H,14,16)/b15-9+.
What are the key properties of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide?
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 24711478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).