N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide

C13H11ClN2O3S — CID 2408294

IUPACN'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(14)7-9(10)12(17)15-16-13(18)11-3-2-6-20-11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyPRGLKNSUGYTUSN-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.48
Rot. Bonds3

About N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide

N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide (PubChem CID 2408294) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
PubChem CID2408294
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(14)7-9(10)12(17)15-16-13(18)11-3-2-6-20-11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyPRGLKNSUGYTUSN-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 809222
5-chloro-2-hydroxy-N'-(2-thienylcarbonyl)benzohydrazide
CID 3395241
(2E)-6-chloro-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide
CID 9606860
3-[(4-Chlorobenzyl)oxy]-2-thiophenecarbohydrazide
CID 2764231
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 969141
[2-[2-(5-Chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate
CID 2569952
N'-[3-(2-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4790874
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4793437
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4795171
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophenecarbohydrazide
CID 687575
N-[(3-chlorophenyl)carbonylamino](2-methoxyphenyl)carboxamide
CID 790058
3-[(2,4-Dichlorophenyl)methoxy]thiophene-2-carbohydrazide
CID 1482491

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide (CID 2408294) is N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide?
The InChIKey is PRGLKNSUGYTUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(14)7-9(10)12(17)15-16-13(18)11-3-2-6-20-11/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide?
N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide has a molecular weight of 310.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2408294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).