2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

C15H15N3O4S — CID 4787489

IUPAC2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H15N3O4S/c1-22-11-6-3-2-5-10(11)14(20)16-9-13(19)17-18-15(21)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyDQIDXCGMAASGJY-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.95
Rot. Bonds5

About 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 4787489) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID4787489
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H15N3O4S/c1-22-11-6-3-2-5-10(11)14(20)16-9-13(19)17-18-15(21)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyDQIDXCGMAASGJY-UHFFFAOYSA-N
XLogP0.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.95
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

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CID 809222
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CID 3371205
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7986833
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 969141
2-Methoxy-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]benzamide
CID 3238588
2-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3244176
2-Methoxy-benzoic acid N'-[4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyryl]-hydrazide
CID 5765632
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 9647635
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18112086

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 4787489) is 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is DQIDXCGMAASGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-22-11-6-3-2-5-10(11)14(20)16-9-13(19)17-18-15(21)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 333.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 4787489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).