2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide

C17H21NO4S — CID 78895737

IUPAC2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1
InChIInChI=1S/C17H21NO4S/c1-9-7-10(2)13(5)16(12(9)4)23(20,21)18-17(19)15-8-11(3)22-14(15)6/h7-8H,1-6H3,(H,18,19)
InChIKeyLPLMDTWNBDBHBR-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.25
Rot. Bonds3

About 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide

2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide (PubChem CID 78895737) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
PubChem CID78895737
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1
InChIInChI=1S/C17H21NO4S/c1-9-7-10(2)13(5)16(12(9)4)23(20,21)18-17(19)15-8-11(3)22-14(15)6/h7-8H,1-6H3,(H,18,19)
InChIKeyLPLMDTWNBDBHBR-UHFFFAOYSA-N
XLogP3.25
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 9277010
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide
CID 154841487
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
CID 86782476
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide (CID 78895737) is 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide is Cc1cc(C(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide?
The InChIKey is LPLMDTWNBDBHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-9-7-10(2)13(5)16(12(9)4)23(20,21)18-17(19)15-8-11(3)22-14(15)6/h7-8H,1-6H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide?
2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide is sourced from PubChem (CID 78895737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).