N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide

C13H11ClN2O2S — CID 809192

IUPACN'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyBTGFLAKULIUAJU-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.41
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 809192) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID809192
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyBTGFLAKULIUAJU-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 7600829
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2531583
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide (CID 809192) is N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is BTGFLAKULIUAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 294.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).