4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide

C15H16N2O5S — CID 108782851

IUPAC4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C15H16N2O5S/c1-8-4-6-11(7-5-8)23(20,21)17-15-13(14(16)19)12(9(2)18)10(3)22-15/h4-7,17H,1-3H3,(H2,16,19)
InChIKeyWKIXYILGBZCYFR-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.00
Rot. Bonds5

About 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide

4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide (PubChem CID 108782851) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
PubChem CID108782851
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C15H16N2O5S/c1-8-4-6-11(7-5-8)23(20,21)17-15-13(14(16)19)12(9(2)18)10(3)22-15/h4-7,17H,1-3H3,(H2,16,19)
InChIKeyWKIXYILGBZCYFR-UHFFFAOYSA-N
XLogP2.00
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782861
4-acetyl-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782853
4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782846
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
CID 108782911
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
(4-methylphenyl)sulfonylurea;urea
CID 160676948
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1220084
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide (CID 108782851) is 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide is CC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2)c1C(N)=O.
What is the InChIKey of 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide?
The InChIKey is WKIXYILGBZCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-8-4-6-11(7-5-8)23(20,21)17-15-13(14(16)19)12(9(2)18)10(3)22-15/h4-7,17H,1-3H3,(H2,16,19).
What are the key properties of 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide?
4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide is sourced from PubChem (CID 108782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).