N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide

C19H22N2O5S — CID 4791402

IUPACN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-11-7-16(12(2)27-11)17(22)5-6-18(23)20-21-19(24)13-8-14(25-3)10-15(9-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyCQOLQCDVUXZELN-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.81
Rot. Bonds7

About N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide

N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide (PubChem CID 4791402) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
PubChem CID4791402
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-11-7-16(12(2)27-11)17(22)5-6-18(23)20-21-19(24)13-8-14(25-3)10-15(9-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyCQOLQCDVUXZELN-UHFFFAOYSA-N
XLogP2.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.81
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 N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide (CID 4791402) is N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is CQOLQCDVUXZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-11-7-16(12(2)27-11)17(22)5-6-18(23)20-21-19(24)13-8-14(25-3)10-15(9-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 390.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 4791402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).