5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide

C18H15ClN2O3S — CID 18876090

IUPAC5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1csc2c1CCCC2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClN2O3S/c19-11-5-6-14-10(7-11)8-15(24-14)18(23)21-20-17(22)13-9-25-16-4-2-1-3-12(13)16/h5-9H,1-4H2,(H,20,22)(H,21,23)
InChIKeyPMBYYXUSSDRUFI-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.10
Rot. Bonds2

About 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide

5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide (PubChem CID 18876090) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide
PubChem CID18876090
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1csc2c1CCCC2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClN2O3S/c19-11-5-6-14-10(7-11)8-15(24-14)18(23)21-20-17(22)13-9-25-16-4-2-1-3-12(13)16/h5-9H,1-4H2,(H,20,22)(H,21,23)
InChIKeyPMBYYXUSSDRUFI-UHFFFAOYSA-N
XLogP4.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide with MolForge

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Related Compounds

N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
CID 9037806
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18876068
N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4248880
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 16541329
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
(5-chloro-1-benzofuran-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115808506
N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 3119755
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
N-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 154852349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide (CID 18876090) is 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)c1csc2c1CCCC2)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is PMBYYXUSSDRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-11-5-6-14-10(7-11)8-15(24-14)18(23)21-20-17(22)13-9-25-16-4-2-1-3-12(13)16/h5-9H,1-4H2,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide?
5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 374.85 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 18876090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).