N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide

C17H20N2O3S — CID 9479375

IUPACN'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cccs2)ccc1C(C)C
InChIInChI=1S/C17H20N2O3S/c1-11(2)14-7-6-13(9-12(14)3)22-10-16(20)18-19-17(21)15-5-4-8-23-15/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYGLDAXXKCTZONK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.02
Rot. Bonds5

About N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide

N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide (PubChem CID 9479375) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
PubChem CID9479375
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cccs2)ccc1C(C)C
InChIInChI=1S/C17H20N2O3S/c1-11(2)14-7-6-13(9-12(14)3)22-10-16(20)18-19-17(21)15-5-4-8-23-15/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYGLDAXXKCTZONK-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.02
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

2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907393
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8951493
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide (CID 9479375) is N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide is Cc1cc(OCC(=O)NNC(=O)c2cccs2)ccc1C(C)C.
What is the InChIKey of N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide?
The InChIKey is YGLDAXXKCTZONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11(2)14-7-6-13(9-12(14)3)22-10-16(20)18-19-17(21)15-5-4-8-23-15/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide?
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide has a molecular weight of 332.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).