N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide

C25H34N4O4S — CID 55600971

IUPACN-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCC1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C25H34N4O4S/c1-20-17-29(18-21(2)33-20)34(31,32)28-14-12-27(13-15-28)19-25(30)26-24-11-7-6-10-23(24)16-22-8-4-3-5-9-22/h3-11,20-21H,12-19H2,1-2H3,(H,26,30)
InChIKeyHBCVKBSBVVXXFN-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.19
Rot. Bonds7

About N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide

N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55600971) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55600971
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCC1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C25H34N4O4S/c1-20-17-29(18-21(2)33-20)34(31,32)28-14-12-27(13-15-28)19-25(30)26-24-11-7-6-10-23(24)16-22-8-4-3-5-9-22/h3-11,20-21H,12-19H2,1-2H3,(H,26,30)
InChIKeyHBCVKBSBVVXXFN-UHFFFAOYSA-N
XLogP2.19
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
tert-butyl 4-[2-(2-benzylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196540
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
3-[1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101341
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600995
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55625981
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 55600971) is N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide is CC1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cc3ccccc3)CC2)CC(C)O1.
What is the InChIKey of N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is HBCVKBSBVVXXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-20-17-29(18-21(2)33-20)34(31,32)28-14-12-27(13-15-28)19-25(30)26-24-11-7-6-10-23(24)16-22-8-4-3-5-9-22/h3-11,20-21H,12-19H2,1-2H3,(H,26,30).
What are the key properties of N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 486.64 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55600971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).