N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

C17H19ClN2O4S — CID 9418354

IUPACN'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C17H19ClN2O4S/c1-5-13-9(2)6-14(25-13)17(22)20-19-16(21)10-7-11(18)15(24-4)12(8-10)23-3/h6-8H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNJZWIQFMLHTCID-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.36
Rot. Bonds5

About N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 9418354) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID9418354
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C17H19ClN2O4S/c1-5-13-9(2)6-14(25-13)17(22)20-19-16(21)10-7-11(18)15(24-4)12(8-10)23-3/h6-8H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNJZWIQFMLHTCID-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.36
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

5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide
CID 9428860
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
CID 26120040
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 9418354) is N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1C.
What is the InChIKey of N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is NJZWIQFMLHTCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-5-13-9(2)6-14(25-13)17(22)20-19-16(21)10-7-11(18)15(24-4)12(8-10)23-3/h6-8H,5H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 382.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9418354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).