N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

C16H17ClN2O3S — CID 7601142

IUPACN'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)COc2ccccc2Cl)sc1C
InChIInChI=1S/C16H17ClN2O3S/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXOFFANKTQQAUOU-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.11
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (PubChem CID 7601142) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
PubChem CID7601142
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)COc2ccccc2Cl)sc1C
InChIInChI=1S/C16H17ClN2O3S/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXOFFANKTQQAUOU-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.11
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-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 35410868
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
CID 17467699
5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
CID 24538754
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801038
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847473
4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 9470201
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (CID 7601142) is N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)COc2ccccc2Cl)sc1C.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is XOFFANKTQQAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide has a molecular weight of 352.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 7601142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).