N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide

C22H28N2O8S — CID 154379633

IUPACN-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O
InChIInChI=1S/C22H28N2O8S/c1-13(25)23-17-9-15(5-7-21(17)31-3)19(27)11-33(29,30)12-20(28)16-6-8-22(32-4)18(10-16)24-14(2)26/h5-10,19-20,27-28H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyOSAGQYIMAFNZSO-UHFFFAOYSA-N
MW480.54 g/mol
LogP1.80
Rot. Bonds10

About N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide

N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide (PubChem CID 154379633) has the molecular formula C22H28N2O8S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
PubChem CID154379633
Molecular FormulaC22H28N2O8S
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC NameN-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O
InChIInChI=1S/C22H28N2O8S/c1-13(25)23-17-9-15(5-7-21(17)31-3)19(27)11-33(29,30)12-20(28)16-6-8-22(32-4)18(10-16)24-14(2)26/h5-10,19-20,27-28H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyOSAGQYIMAFNZSO-UHFFFAOYSA-N
XLogP1.80
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-5-[1-methoxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514053
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-[5-(1-amino-4-methylpentan-3-yl)-2-methoxyphenyl]acetamide
CID 112514061
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593135
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide (CID 154379633) is N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide is COc1ccc(C(O)CS(=O)(=O)CC(O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O.
What is the InChIKey of N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The InChIKey is OSAGQYIMAFNZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8S/c1-13(25)23-17-9-15(5-7-21(17)31-3)19(27)11-33(29,30)12-20(28)16-6-8-22(32-4)18(10-16)24-14(2)26/h5-10,19-20,27-28H,11-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 1.80, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 154379633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).