2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide

C11H12N2O4S2 — CID 26980778

IUPAC2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cccs2)c(C)o1
InChIInChI=1S/C11H12N2O4S2/c1-7-6-9(8(2)17-7)11(14)12-13-19(15,16)10-4-3-5-18-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKQABKBRASUQYMN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds4

About 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide

2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide (PubChem CID 26980778) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
PubChem CID26980778
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cccs2)c(C)o1
InChIInChI=1S/C11H12N2O4S2/c1-7-6-9(8(2)17-7)11(14)12-13-19(15,16)10-4-3-5-18-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKQABKBRASUQYMN-UHFFFAOYSA-N
XLogP1.58
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9468233
(3S)-N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084948
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-thiophen-2-ylsulfonylacetohydrazide
CID 8500698
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35000765
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
4-chloro-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8500420
2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
CID 51894945
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide (CID 26980778) is 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2cccs2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide?
The InChIKey is KQABKBRASUQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-7-6-9(8(2)17-7)11(14)12-13-19(15,16)10-4-3-5-18-10/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide?
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide has a molecular weight of 300.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 26980778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).