N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide

C18H19BrN2O2S — CID 55825014

IUPACN'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-3-13-4-6-14(7-5-13)18(23)21-20-17(22)12(2)24-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPRPCKCSYHGRIAM-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.95
Rot. Bonds5

About N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide

N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide (PubChem CID 55825014) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide
PubChem CID55825014
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-3-13-4-6-14(7-5-13)18(23)21-20-17(22)12(2)24-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPRPCKCSYHGRIAM-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[2-(4-methoxyphenyl)sulfanylpropanoyl]benzohydrazide
CID 55833566
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55835190
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
N'-[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]-4-bromobenzohydrazide
CID 15783145
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55942890

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide (CID 55825014) is N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide?
The InChIKey is PRPCKCSYHGRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-3-13-4-6-14(7-5-13)18(23)21-20-17(22)12(2)24-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide?
N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide has a molecular weight of 407.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 55825014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).