2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide

C16H16Cl2N2O4S — CID 25443168

IUPAC2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C16H16Cl2N2O4S/c1-3-6-24-11-5-4-9(7-12(11)23-2)15(21)19-20-16(22)10-8-13(17)25-14(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKIOHWSQNTDPFRI-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.93
Rot. Bonds6

About 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide

2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide (PubChem CID 25443168) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
PubChem CID25443168
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Name2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C16H16Cl2N2O4S/c1-3-6-24-11-5-4-9(7-12(11)23-2)15(21)19-20-16(22)10-8-13(17)25-14(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKIOHWSQNTDPFRI-UHFFFAOYSA-N
XLogP3.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.93
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

N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 43004085
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide?
The IUPAC name of 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide (CID 25443168) is 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1OC.
What is the InChIKey of 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide?
The InChIKey is KIOHWSQNTDPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-3-6-24-11-5-4-9(7-12(11)23-2)15(21)19-20-16(22)10-8-13(17)25-14(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide?
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide has a molecular weight of 403.29 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 25443168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).