5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C17H19N3O4S — CID 35768059

IUPAC5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)24-10-16(22)20-19-15(21)9-18-17(23)14-7-6-12(2)25-14/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyIYVQIQZTSSMVHA-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.32
Rot. Bonds6

About 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 35768059) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID35768059
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)24-10-16(22)20-19-15(21)9-18-17(23)14-7-6-12(2)25-14/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyIYVQIQZTSSMVHA-UHFFFAOYSA-N
XLogP1.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.32
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

2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684469
5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
CID 24538754
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
(3-methylphenyl) 5-methylthiophene-2-carboxylate
CID 129259656
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 34079875

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 35768059) is 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is Cc1cccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(C)s2)c1.
What is the InChIKey of 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is IYVQIQZTSSMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)24-10-16(22)20-19-15(21)9-18-17(23)14-7-6-12(2)25-14/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).