N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C22H20ClN3O4S — CID 34079875

IUPACN-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)s1
InChIInChI=1S/C22H20ClN3O4S/c1-14-2-11-19(31-14)22(29)24-12-20(27)25-26-21(28)16-5-3-15(4-6-16)13-30-18-9-7-17(23)8-10-18/h2-11H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyLGIMFEKXHHBRLT-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 34079875) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID34079875
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)s1
InChIInChI=1S/C22H20ClN3O4S/c1-14-2-11-19(31-14)22(29)24-12-20(27)25-26-21(28)16-5-3-15(4-6-16)13-30-18-9-7-17(23)8-10-18/h2-11H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyLGIMFEKXHHBRLT-UHFFFAOYSA-N
XLogP3.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.48
H-Bond Donors ≤ 53
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-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 34079875) is N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)s1.
What is the InChIKey of N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is LGIMFEKXHHBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-14-2-11-19(31-14)22(29)24-12-20(27)25-26-21(28)16-5-3-15(4-6-16)13-30-18-9-7-17(23)8-10-18/h2-11H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 457.94 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 34079875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).