N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide

C24H28N2O6S — CID 2950375

IUPACN-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCC(O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-18-6-12-24(13-7-18)33(29,30)26(16-23-5-4-14-31-23)15-21(28)17-32-22-10-8-20(9-11-22)25(3)19(2)27/h4-14,21,28H,15-17H2,1-3H3
InChIKeyUWUGIUALVTXZOZ-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.20
Rot. Bonds10

About N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide

N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide (PubChem CID 2950375) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide
PubChem CID2950375
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC NameN-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCC(O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-18-6-12-24(13-7-18)33(29,30)26(16-23-5-4-14-31-23)15-21(28)17-32-22-10-8-20(9-11-22)25(3)19(2)27/h4-14,21,28H,15-17H2,1-3H3
InChIKeyUWUGIUALVTXZOZ-UHFFFAOYSA-N
XLogP3.20
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propoxy]phenyl]-N-methylacetamide
CID 2140050
N-[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propoxy]phenoxy]propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 99674364
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528
4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2133941
N-[(2S)-2-hydroxyoctyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methylbenzenesulfonamide
CID 101366737
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]propanoyl chloride
CID 50894365

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide (CID 2950375) is N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(OCC(O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The InChIKey is UWUGIUALVTXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-18-6-12-24(13-7-18)33(29,30)26(16-23-5-4-14-31-23)15-21(28)17-32-22-10-8-20(9-11-22)25(3)19(2)27/h4-14,21,28H,15-17H2,1-3H3.
What are the key properties of N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide?
N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide has a molecular weight of 472.56 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 2950375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).