4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

C23H24N2O5S — CID 86951535

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-15-12-21(17(3)30-15)14-24-23(27)20-6-4-18(5-7-20)13-25-31(28,29)22-10-8-19(9-11-22)16(2)26/h4-12,25H,13-14H2,1-3H3,(H,24,27)
InChIKeySXPLRXLZXOWTIW-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.51
Rot. Bonds8

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (PubChem CID 86951535) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
PubChem CID86951535
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-15-12-21(17(3)30-15)14-24-23(27)20-6-4-18(5-7-20)13-25-31(28,29)22-10-8-19(9-11-22)16(2)26/h4-12,25H,13-14H2,1-3H3,(H,24,27)
InChIKeySXPLRXLZXOWTIW-UHFFFAOYSA-N
XLogP3.51
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide with MolForge

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
CID 30858865
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 86950413
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (CID 86951535) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cc(C)oc3C)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The InChIKey is SXPLRXLZXOWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15-12-21(17(3)30-15)14-24-23(27)20-6-4-18(5-7-20)13-25-31(28,29)22-10-8-19(9-11-22)16(2)26/h4-12,25H,13-14H2,1-3H3,(H,24,27).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 86951535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).