N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide

C19H22ClN3O3S — CID 2819884

IUPACN-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide
SMILESCC(C)CC(NC(=O)Cc1ccsc1)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-12(2)9-16(21-17(24)10-13-7-8-27-11-13)19(26)23-22-18(25)14-5-3-4-6-15(14)20/h3-8,11-12,16H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHXLNGESEPLEDEG-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.94
Rot. Bonds7

About N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide

N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 2819884) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide
PubChem CID2819884
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide
SMILESCC(C)CC(NC(=O)Cc1ccsc1)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-12(2)9-16(21-17(24)10-13-7-8-27-11-13)19(26)23-22-18(25)14-5-3-4-6-15(14)20/h3-8,11-12,16H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHXLNGESEPLEDEG-UHFFFAOYSA-N
XLogP2.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]-4-methylpentanoate
CID 51162400
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55468080
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-chlorobenzamide
CID 45278106
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide (CID 2819884) is N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide is CC(C)CC(NC(=O)Cc1ccsc1)C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is HXLNGESEPLEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-12(2)9-16(21-17(24)10-13-7-8-27-11-13)19(26)23-22-18(25)14-5-3-4-6-15(14)20/h3-8,11-12,16H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide?
N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 407.92 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2819884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).