N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide

C15H15BrN2O2S2 — CID 9479279

IUPACN'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCc1cc(SCC(=O)NNC(=O)c2cccs2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2O2S2/c1-9-7-13(10(2)6-11(9)16)22-8-14(19)17-18-15(20)12-4-3-5-21-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIQHPPIUREOBKOQ-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.68
Rot. Bonds4

About N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide

N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 9479279) has the molecular formula C15H15BrN2O2S2 and a molecular weight of 399.34 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID9479279
Molecular FormulaC15H15BrN2O2S2
Molecular Weight399.34 g/mol
Exact Mass397.98
IUPAC NameN'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCc1cc(SCC(=O)NNC(=O)c2cccs2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2O2S2/c1-9-7-13(10(2)6-11(9)16)22-8-14(19)17-18-15(20)12-4-3-5-21-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIQHPPIUREOBKOQ-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.68
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

N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N-[2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 38202282
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 43418672
2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
CID 81222543
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 51162015
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide (CID 9479279) is N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide is Cc1cc(SCC(=O)NNC(=O)c2cccs2)c(C)cc1Br.
What is the InChIKey of N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is IQHPPIUREOBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S2/c1-9-7-13(10(2)6-11(9)16)22-8-14(19)17-18-15(20)12-4-3-5-21-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 399.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).