N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide

C26H30N4O3S — CID 30900136

IUPACN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H30N4O3S/c1-21-6-5-9-24(20-21)30-18-16-29(17-19-30)15-14-27-26(31)22-10-12-25(13-11-22)34(32,33)28-23-7-3-2-4-8-23/h2-13,20,28H,14-19H2,1H3,(H,27,31)
InChIKeyMJUNWOOIEHJZQA-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.35
Rot. Bonds8

About N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 30900136) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
PubChem CID30900136
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H30N4O3S/c1-21-6-5-9-24(20-21)30-18-16-29(17-19-30)15-14-27-26(31)22-10-12-25(13-11-22)34(32,33)28-23-7-3-2-4-8-23/h2-13,20,28H,14-19H2,1H3,(H,27,31)
InChIKeyMJUNWOOIEHJZQA-UHFFFAOYSA-N
XLogP3.35
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624611
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044278
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide (CID 30900136) is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide is Cc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is MJUNWOOIEHJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-21-6-5-9-24(20-21)30-18-16-29(17-19-30)15-14-27-26(31)22-10-12-25(13-11-22)34(32,33)28-23-7-3-2-4-8-23/h2-13,20,28H,14-19H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide?
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 478.62 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 30900136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).