3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide

C14H13ClN2O2S — CID 103402001

IUPAC3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
SMILESC/C(=N/O)c1ccccc1NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-8-7-20-13(12(8)15)14(18)16-11-6-4-3-5-10(11)9(2)17-19/h3-7,19H,1-2H3,(H,16,18)/b17-9-
InChIKeyIIPTUMRUVYHMFO-MFOYZWKCSA-N
MW308.79 g/mol
LogP4.16
Rot. Bonds3

About 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 103402001) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
PubChem CID103402001
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
SMILESC/C(=N/O)c1ccccc1NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-8-7-20-13(12(8)15)14(18)16-11-6-4-3-5-10(11)9(2)17-19/h3-7,19H,1-2H3,(H,16,18)/b17-9-
InChIKeyIIPTUMRUVYHMFO-MFOYZWKCSA-N
XLogP4.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.16
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

2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
3-bromo-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007128
3-chloro-4-methyl-N-(2-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405087
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061609
3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103577794
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide (CID 103402001) is 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide is C/C(=N/O)c1ccccc1NC(=O)c1scc(C)c1Cl.
What is the InChIKey of 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is IIPTUMRUVYHMFO-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-8-7-20-13(12(8)15)14(18)16-11-6-4-3-5-10(11)9(2)17-19/h3-7,19H,1-2H3,(H,16,18)/b17-9-.
What are the key properties of 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103402001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).