N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide

C12H10N2O4S — CID 9086877

IUPACN'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
SMILESCC(=O)c1ccc(C(=O)NNC(=O)c2ccco2)s1
InChIInChI=1S/C12H10N2O4S/c1-7(15)9-4-5-10(19-9)12(17)14-13-11(16)8-3-2-6-18-8/h2-6H,1H3,(H,13,16)(H,14,17)
InChIKeyVOHGXJOPGYGMSO-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.62
Rot. Bonds3

About N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide

N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide (PubChem CID 9086877) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
PubChem CID9086877
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC NameN'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
SMILESCC(=O)c1ccc(C(=O)NNC(=O)c2ccco2)s1
InChIInChI=1S/C12H10N2O4S/c1-7(15)9-4-5-10(19-9)12(17)14-13-11(16)8-3-2-6-18-8/h2-6H,1H3,(H,13,16)(H,14,17)
InChIKeyVOHGXJOPGYGMSO-UHFFFAOYSA-N
XLogP1.62
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(furan-2-carbonylamino)carbamate
CID 909545
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330523
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
CID 4646568
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146656
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)furan-2-carbohydrazide
CID 42997982
N'-(5-acetylthiophene-2-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9089399
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494

Frequently Asked Questions

What is the IUPAC name of N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide?
The IUPAC name of N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide (CID 9086877) is N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide is CC(=O)c1ccc(C(=O)NNC(=O)c2ccco2)s1.
What is the InChIKey of N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide?
The InChIKey is VOHGXJOPGYGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-7(15)9-4-5-10(19-9)12(17)14-13-11(16)8-3-2-6-18-8/h2-6H,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide?
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide has a molecular weight of 278.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 9086877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).