5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide

C15H15BrN2O2S2 — CID 55882212

IUPAC5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCSCc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S2/c1-2-21-9-10-3-5-11(6-4-10)14(19)17-18-15(20)12-7-8-13(16)22-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXUKISSGWCGWXGE-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.84
Rot. Bonds5

About 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide

5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide (PubChem CID 55882212) has the molecular formula C15H15BrN2O2S2 and a molecular weight of 399.34 g/mol. Its IUPAC name is 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
PubChem CID55882212
Molecular FormulaC15H15BrN2O2S2
Molecular Weight399.34 g/mol
Exact Mass397.98
IUPAC Name5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCSCc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S2/c1-2-21-9-10-3-5-11(6-4-10)14(19)17-18-15(20)12-7-8-13(16)22-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXUKISSGWCGWXGE-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide
CID 55788997
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
CID 30756356
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
CID 30497119
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
CID 55902498
5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
CID 18291485
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide (CID 55882212) is 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide is CCSCc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is XUKISSGWCGWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S2/c1-2-21-9-10-3-5-11(6-4-10)14(19)17-18-15(20)12-7-8-13(16)22-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide?
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 399.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55882212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).