N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide

C16H16BrN3O3S — CID 134049279

IUPACN-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NNC(=O)c1ccc(Br)s1)NC(=O)c1ccccc1
InChIInChI=1S/C16H16BrN3O3S/c1-10(18-15(22)11-5-3-2-4-6-11)9-14(21)19-20-16(23)12-7-8-13(17)24-12/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTZGQDPGNWBGMJO-UHFFFAOYSA-N
MW410.29 g/mol
LogP2.48
Rot. Bonds5

About N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide

N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (PubChem CID 134049279) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
PubChem CID134049279
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NNC(=O)c1ccc(Br)s1)NC(=O)c1ccccc1
InChIInChI=1S/C16H16BrN3O3S/c1-10(18-15(22)11-5-3-2-4-6-11)9-14(21)19-20-16(23)12-7-8-13(17)24-12/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTZGQDPGNWBGMJO-UHFFFAOYSA-N
XLogP2.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.48
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-[4-oxo-4-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 78804573
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46689775
methyl 3-benzamidobutanoate
CID 10857046
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-[3-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 134049284
N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 42209652

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (CID 134049279) is N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NNC(=O)c1ccc(Br)s1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The InChIKey is TZGQDPGNWBGMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-10(18-15(22)11-5-3-2-4-6-11)9-14(21)19-20-16(23)12-7-8-13(17)24-12/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide has a molecular weight of 410.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134049279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).