N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide

C23H29N3O6S — CID 59988104

IUPACN-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1OC(C)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C23H29N3O6S/c1-16-15-25(23(28)18-8-6-5-7-9-18)12-13-26(16)22(27)17(2)32-20-11-10-19(14-21(20)31-3)24-33(4,29)30/h5-11,14,16-17,24H,12-13,15H2,1-4H3/t16-,17?/m1/s1
InChIKeyFBOWMNLTKZNXDH-TZHYSIJRSA-N
MW475.57 g/mol
LogP2.21
Rot. Bonds7

About N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide

N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide (PubChem CID 59988104) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide
PubChem CID59988104
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1OC(C)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C23H29N3O6S/c1-16-15-25(23(28)18-8-6-5-7-9-18)12-13-26(16)22(27)17(2)32-20-11-10-19(14-21(20)31-3)24-33(4,29)30/h5-11,14,16-17,24H,12-13,15H2,1-4H3/t16-,17?/m1/s1
InChIKeyFBOWMNLTKZNXDH-TZHYSIJRSA-N
XLogP2.21
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide with MolForge

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Related Compounds

methyl 5-[1-(4-benzoyl-2-methylpiperazin-1-yl)-1-oxopropan-2-yl]oxyquinoline-2-carboxylate
CID 72615225
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(2-chloroquinolin-5-yl)oxypropan-1-one
CID 72615169
(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(2-oxidoisoquinolin-2-ium-5-yl)oxypropan-1-one
CID 143003521
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
CID 75116788
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[2-methyl-3-(1-methylpyrazol-3-yl)phenoxy]propan-1-one
CID 72615205
5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-8-fluoro-N-methylisoquinoline-1-carboxamide
CID 45487395
methyl 3-methoxy-4-[1-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzoate
CID 143152172
N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 42706723
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide (CID 59988104) is N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1OC(C)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide?
The InChIKey is FBOWMNLTKZNXDH-TZHYSIJRSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-16-15-25(23(28)18-8-6-5-7-9-18)12-13-26(16)22(27)17(2)32-20-11-10-19(14-21(20)31-3)24-33(4,29)30/h5-11,14,16-17,24H,12-13,15H2,1-4H3/t16-,17?/m1/s1.
What are the key properties of N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide?
N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 59988104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).