N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

C11H14N2O2S — CID 146035934

IUPACN'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyDNSKRZJUSJXMPF-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.41
Rot. Bonds1

About N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (PubChem CID 146035934) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
PubChem CID146035934
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyDNSKRZJUSJXMPF-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.41
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

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'1-acetyl-3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbohydrazide
CID 2820129
N'-benzoylthiophene-2-carbohydrazide
CID 790437
1-Benzothiophene-2-carbohydrazide
CID 519437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbohydrazide
CID 3470425
4-Methylthiophene-2-carbohydrazide
CID 2808207

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CID 146035934) is N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is CC(=O)NNC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is DNSKRZJUSJXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 238.31 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 146035934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).