N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide

C15H15NO5S — CID 86977698

IUPACN-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H15NO5S/c1-9-8-14(11(3)21-9)15(18)16-22(19,20)13-6-4-12(5-7-13)10(2)17/h4-8H,1-3H3,(H,16,18)
InChIKeyPCBUFIFIFRBLSK-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.22
Rot. Bonds4

About N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide

N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 86977698) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
PubChem CID86977698
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H15NO5S/c1-9-8-14(11(3)21-9)15(18)16-22(19,20)13-6-4-12(5-7-13)10(2)17/h4-8H,1-3H3,(H,16,18)
InChIKeyPCBUFIFIFRBLSK-UHFFFAOYSA-N
XLogP2.22
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
CID 78895597
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide (CID 86977698) is N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PCBUFIFIFRBLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-9-8-14(11(3)21-9)15(18)16-22(19,20)13-6-4-12(5-7-13)10(2)17/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide?
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 86977698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).