7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide

C25H24N4O3S — CID 171152179

IUPAC7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccc(-c4ccsc4)cc3)oc2c1
InChIInChI=1S/C25H24N4O3S/c1-3-29(4-2)20-10-9-18-13-21(23(26)30)25(32-22(18)14-20)28-27-24(31)17-7-5-16(6-8-17)19-11-12-33-15-19/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyMXXAJNXQJUFTOI-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.35
Rot. Bonds7

About 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide

7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 171152179) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID171152179
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccc(-c4ccsc4)cc3)oc2c1
InChIInChI=1S/C25H24N4O3S/c1-3-29(4-2)20-10-9-18-13-21(23(26)30)25(32-22(18)14-20)28-27-24(31)17-7-5-16(6-8-17)19-11-12-33-15-19/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyMXXAJNXQJUFTOI-UHFFFAOYSA-N
XLogP4.35
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 171152179) is 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccc(-c4ccsc4)cc3)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is MXXAJNXQJUFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-3-29(4-2)20-10-9-18-13-21(23(26)30)25(32-22(18)14-20)28-27-24(31)17-7-5-16(6-8-17)19-11-12-33-15-19/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 171152179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).