N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C16H20N4O5S3 — CID 2526433

IUPACN-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H20N4O5S3/c17-27(22,23)14-5-3-13(4-6-14)18-15(21)12-19-7-9-20(10-8-19)28(24,25)16-2-1-11-26-16/h1-6,11H,7-10,12H2,(H,18,21)(H2,17,22,23)
InChIKeyWPMOPVGTHQITOK-UHFFFAOYSA-N
MW444.56 g/mol
LogP0.34
Rot. Bonds6

About N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2526433) has the molecular formula C16H20N4O5S3 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2526433
Molecular FormulaC16H20N4O5S3
Molecular Weight444.56 g/mol
Exact Mass444.06
IUPAC NameN-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H20N4O5S3/c17-27(22,23)14-5-3-13(4-6-14)18-15(21)12-19-7-9-20(10-8-19)28(24,25)16-2-1-11-26-16/h1-6,11H,7-10,12H2,(H,18,21)(H2,17,22,23)
InChIKeyWPMOPVGTHQITOK-UHFFFAOYSA-N
XLogP0.34
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

MK6-83
CID 18191179
1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
(2S)-4-(2-chloroacetyl)-N-(4-fluorophenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423205
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
CID 4845797
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CID 4966311
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
2-(2-Oxo-benzothiazol-3-yl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 644898

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2526433) is N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is WPMOPVGTHQITOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S3/c17-27(22,23)14-5-3-13(4-6-14)18-15(21)12-19-7-9-20(10-8-19)28(24,25)16-2-1-11-26-16/h1-6,11H,7-10,12H2,(H,18,21)(H2,17,22,23).
What are the key properties of N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2526433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).