4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

C22H34N4O5S — CID 55938796

IUPAC4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C22H34N4O5S/c1-17-6-4-5-11-26(17)21(27)16-24-12-14-25(15-13-24)22(28)18(2)23-32(29,30)20-9-7-19(31-3)8-10-20/h7-10,17-18,23H,4-6,11-16H2,1-3H3/t17?,18-/m0/s1
InChIKeyVHSDEIPHEMKSAI-ZVAWYAOSSA-N
MW466.60 g/mol
LogP0.91
Rot. Bonds7

About 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 55938796) has the molecular formula C22H34N4O5S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID55938796
Molecular FormulaC22H34N4O5S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC Name4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C22H34N4O5S/c1-17-6-4-5-11-26(17)21(27)16-24-12-14-25(15-13-24)22(28)18(2)23-32(29,30)20-9-7-19(31-3)8-10-20/h7-10,17-18,23H,4-6,11-16H2,1-3H3/t17?,18-/m0/s1
InChIKeyVHSDEIPHEMKSAI-ZVAWYAOSSA-N
XLogP0.91
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(2S)-3-methyl-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 55938940
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
N-[(2S)-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55935432
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 55940304
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8003679
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882
N-[1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55564684
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 55505681

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 55938796) is 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is VHSDEIPHEMKSAI-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H34N4O5S/c1-17-6-4-5-11-26(17)21(27)16-24-12-14-25(15-13-24)22(28)18(2)23-32(29,30)20-9-7-19(31-3)8-10-20/h7-10,17-18,23H,4-6,11-16H2,1-3H3/t17?,18-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 466.60 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 55938796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).