N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide

C15H16N2O2S — CID 959994

IUPACN'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(2)11-5-7-12(8-6-11)14(18)16-17-15(19)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,18)(H,17,19)
InChIKeyOCTXKFFYZKXJMO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.95
Rot. Bonds3

About N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide

N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 959994) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
PubChem CID959994
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(2)11-5-7-12(8-6-11)14(18)16-17-15(19)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,18)(H,17,19)
InChIKeyOCTXKFFYZKXJMO-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.95
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-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N'-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 16542559
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2224786
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide (CID 959994) is N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide is CC(C)c1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is OCTXKFFYZKXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(2)11-5-7-12(8-6-11)14(18)16-17-15(19)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide?
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 959994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).