N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide

C16H18N2O3S — CID 959986

IUPACN'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
SMILESCC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-11(2)21-13-8-6-12(7-9-13)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyGNKYZTYMDMIODW-LLVKDONJSA-N
MW318.40 g/mol
LogP3.00
Rot. Bonds5

About N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide

N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide (PubChem CID 959986) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
PubChem CID959986
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
SMILESCC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-11(2)21-13-8-6-12(7-9-13)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyGNKYZTYMDMIODW-LLVKDONJSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.00
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

4-[(2R)-butan-2-yl]oxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 40628567
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
CID 17141736
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
4-[(2R)-butan-2-yl]oxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 27235802
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide (CID 959986) is N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide is CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide?
The InChIKey is GNKYZTYMDMIODW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-11(2)21-13-8-6-12(7-9-13)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide?
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide has a molecular weight of 318.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 959986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).