N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

C15H16N2O2S — CID 77061609

IUPACN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-9-8-14(20-11(9)3)15(18)16-13-7-5-4-6-12(13)10(2)17-19/h4-8,19H,1-3H3,(H,16,18)
InChIKeyOVOXBJSHXUBRTH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.82
Rot. Bonds3

About N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 77061609) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID77061609
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-9-8-14(20-11(9)3)15(18)16-13-7-5-4-6-12(13)10(2)17-19/h4-8,19H,1-3H3,(H,16,18)
InChIKeyOVOXBJSHXUBRTH-UHFFFAOYSA-N
XLogP3.82
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.82
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-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43185522
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061535
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (CID 77061609) is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is CC(=NO)c1ccccc1NC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is OVOXBJSHXUBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-8-14(20-11(9)3)15(18)16-13-7-5-4-6-12(13)10(2)17-19/h4-8,19H,1-3H3,(H,16,18).
What are the key properties of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 77061609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).