1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone

C26H30N4O4S — CID 57345556

IUPAC1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
SMILESO=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H30N4O4S/c31-26(30-16-14-29(15-17-30)21-22-8-3-1-4-9-22)20-28-35(32,33)27-19-23-10-7-13-25(18-23)34-24-11-5-2-6-12-24/h1-13,18,27-28H,14-17,19-21H2
InChIKeyCRWXYBBOTFYWBG-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.75
Rot. Bonds10

About 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone

1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone (PubChem CID 57345556) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
PubChem CID57345556
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
SMILESO=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H30N4O4S/c31-26(30-16-14-29(15-17-30)21-22-8-3-1-4-9-22)20-28-35(32,33)27-19-23-10-7-13-25(18-23)34-24-11-5-2-6-12-24/h1-13,18,27-28H,14-17,19-21H2
InChIKeyCRWXYBBOTFYWBG-UHFFFAOYSA-N
XLogP2.75
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone with MolForge

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 57391406
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone (CID 57345556) is 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone is O=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone?
The InChIKey is CRWXYBBOTFYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c31-26(30-16-14-29(15-17-30)21-22-8-3-1-4-9-22)20-28-35(32,33)27-19-23-10-7-13-25(18-23)34-24-11-5-2-6-12-24/h1-13,18,27-28H,14-17,19-21H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone has a molecular weight of 494.62 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone is sourced from PubChem (CID 57345556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).