N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

C23H30N4O5S — CID 24550797

IUPACN-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-18-3-9-21(10-4-18)33(30,31)25-15-22(28)24-16-23(29)27-13-11-26(12-14-27)17-19-5-7-20(32-2)8-6-19/h3-10,25H,11-17H2,1-2H3,(H,24,28)
InChIKeyVFDVCCZHBKBZQB-UHFFFAOYSA-N
MW474.58 g/mol
LogP0.74
Rot. Bonds9

About N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 24550797) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID24550797
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-18-3-9-21(10-4-18)33(30,31)25-15-22(28)24-16-23(29)27-13-11-26(12-14-27)17-19-5-7-20(32-2)8-6-19/h3-10,25H,11-17H2,1-2H3,(H,24,28)
InChIKeyVFDVCCZHBKBZQB-UHFFFAOYSA-N
XLogP0.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55407572
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24665941
2-[(4-methylphenyl)sulfonylamino]-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 24536331
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767630

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 24550797) is N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is COc1ccc(CN2CCN(C(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VFDVCCZHBKBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-18-3-9-21(10-4-18)33(30,31)25-15-22(28)24-16-23(29)27-13-11-26(12-14-27)17-19-5-7-20(32-2)8-6-19/h3-10,25H,11-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 474.58 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24550797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).