2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

C17H17Cl2N3O3S — CID 7613237

IUPAC2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H17Cl2N3O3S/c1-9(2)14(17(25)22-21-16(24)13-4-3-7-26-13)20-15(23)11-6-5-10(18)8-12(11)19/h3-9,14H,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyDNEQZODCVNJFOV-AWEZNQCLSA-N
MW414.31 g/mol
LogP3.27
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 7613237) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID7613237
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H17Cl2N3O3S/c1-9(2)14(17(25)22-21-16(24)13-4-3-7-26-13)20-15(23)11-6-5-10(18)8-12(11)19/h3-9,14H,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyDNEQZODCVNJFOV-AWEZNQCLSA-N
XLogP3.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.27
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

N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 3666932
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 18145573
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78804961
2-chloro-N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 55936923

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 7613237) is 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is DNEQZODCVNJFOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-9(2)14(17(25)22-21-16(24)13-4-3-7-26-13)20-15(23)11-6-5-10(18)8-12(11)19/h3-9,14H,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 414.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 7613237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).