N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide

C20H24N2O6S — CID 86739754

IUPACN-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-13(23)21-17-7-3-15(4-8-17)19(25)11-29(27,28)12-20(26)16-5-9-18(10-6-16)22-14(2)24/h3-10,19-20,25-26H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQJQOQCWGYQJWBV-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.79
Rot. Bonds8

About N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide

N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide (PubChem CID 86739754) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
PubChem CID86739754
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-13(23)21-17-7-3-15(4-8-17)19(25)11-29(27,28)12-20(26)16-5-9-18(10-6-16)22-14(2)24/h3-10,19-20,25-26H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQJQOQCWGYQJWBV-UHFFFAOYSA-N
XLogP1.79
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[2-(4-acetamidophenyl)-2-chloroethyl]sulfonyl-1-chloroethyl]phenyl]acetamide
CID 139757852
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
CID 82216315
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
CID 171862528
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide (CID 86739754) is N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide is CC(=O)Nc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is QJQOQCWGYQJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13(23)21-17-7-3-15(4-8-17)19(25)11-29(27,28)12-20(26)16-5-9-18(10-6-16)22-14(2)24/h3-10,19-20,25-26H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide?
N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 86739754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).