N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

C20H26N4O4S — CID 46333714

IUPACN-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H26N4O4S/c1-3-22-20(25)15-7-8-19(24-11-9-21-10-12-24)18(13-15)23-29(26,27)17-6-4-5-16(14-17)28-2/h4-8,13-14,21,23H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyUXPCCXCWANQEMY-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.66
Rot. Bonds7

About N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (PubChem CID 46333714) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
PubChem CID46333714
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H26N4O4S/c1-3-22-20(25)15-7-8-19(24-11-9-21-10-12-24)18(13-15)23-29(26,27)17-6-4-5-16(14-17)28-2/h4-8,13-14,21,23H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyUXPCCXCWANQEMY-UHFFFAOYSA-N
XLogP1.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872300
N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333696
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059408
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
3-[(2,4-dimethylphenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059395
N-benzyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059306

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (CID 46333714) is N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is CCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccc(OC)c2)c1.
What is the InChIKey of N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The InChIKey is UXPCCXCWANQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-3-22-20(25)15-7-8-19(24-11-9-21-10-12-24)18(13-15)23-29(26,27)17-6-4-5-16(14-17)28-2/h4-8,13-14,21,23H,3,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).