5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide

C13H20ClN3O2S — CID 142509377

IUPAC5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide
SMILESCCCC(C)CC(NC(=O)c1ccc(Cl)s1)C(=O)NN
InChIInChI=1S/C13H20ClN3O2S/c1-3-4-8(2)7-9(12(18)17-15)16-13(19)10-5-6-11(14)20-10/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRPJANCUTTSIRFT-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.32
Rot. Bonds7

About 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide

5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide (PubChem CID 142509377) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide
PubChem CID142509377
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide
SMILESCCCC(C)CC(NC(=O)c1ccc(Cl)s1)C(=O)NN
InChIInChI=1S/C13H20ClN3O2S/c1-3-4-8(2)7-9(12(18)17-15)16-13(19)10-5-6-11(14)20-10/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRPJANCUTTSIRFT-UHFFFAOYSA-N
XLogP2.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoate
CID 67455828
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475
1-(5-chlorothiophen-2-yl)-2-(2-methylpentoxy)ethanone
CID 103284397
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide (CID 142509377) is 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide is CCCC(C)CC(NC(=O)c1ccc(Cl)s1)C(=O)NN.
What is the InChIKey of 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide?
The InChIKey is RPJANCUTTSIRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-3-4-8(2)7-9(12(18)17-15)16-13(19)10-5-6-11(14)20-10/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide?
5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide has a molecular weight of 317.84 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydrazinyl-4-methyl-1-oxoheptan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 142509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).