2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide

C23H32N4O5S — CID 12724085

IUPAC2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide
SMILESCOc1ccccc1N1CCN(CC(O)CN(c2ccc(CC(N)=O)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H32N4O5S/c1-32-22-6-4-3-5-21(22)26-13-11-25(12-14-26)16-20(28)17-27(33(2,30)31)19-9-7-18(8-10-19)15-23(24)29/h3-10,20,28H,11-17H2,1-2H3,(H2,24,29)
InChIKeyHTRBVFVNGMURHN-UHFFFAOYSA-N
MW476.60 g/mol
LogP0.67
Rot. Bonds10

About 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide

2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide (PubChem CID 12724085) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide
PubChem CID12724085
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide
SMILESCOc1ccccc1N1CCN(CC(O)CN(c2ccc(CC(N)=O)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H32N4O5S/c1-32-22-6-4-3-5-21(22)26-13-11-25(12-14-26)16-20(28)17-27(33(2,30)31)19-9-7-18(8-10-19)15-23(24)29/h3-10,20,28H,11-17H2,1-2H3,(H2,24,29)
InChIKeyHTRBVFVNGMURHN-UHFFFAOYSA-N
XLogP0.67
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
N-[4-[[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylsulfonylamino]phenyl]acetamide
CID 12724068
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylmethanesulfonamide
CID 90941820
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
N-(4-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1145292
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 3,4,5-trimethoxybenzoate
CID 110183536
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
N-(3,4-dichlorophenyl)-N-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 12724020
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide (CID 12724085) is 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide is COc1ccccc1N1CCN(CC(O)CN(c2ccc(CC(N)=O)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide?
The InChIKey is HTRBVFVNGMURHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-32-22-6-4-3-5-21(22)26-13-11-25(12-14-26)16-20(28)17-27(33(2,30)31)19-9-7-18(8-10-19)15-23(24)29/h3-10,20,28H,11-17H2,1-2H3,(H2,24,29).
What are the key properties of 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide?
2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 0.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-methylsulfonylamino]phenyl]acetamide is sourced from PubChem (CID 12724085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).