2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide

C16H27N5O5S2 — CID 43039531

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C16H27N5O5S2/c1-3-20(4-2)28(25,26)21-10-8-19(9-11-21)13-16(22)18-14-6-5-7-15(12-14)27(17,23)24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,22)(H2,17,23,24)
InChIKeyXRYCJJHNGZUPOD-UHFFFAOYSA-N
MW433.56 g/mol
LogP-0.52
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 43039531) has the molecular formula C16H27N5O5S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID43039531
Molecular FormulaC16H27N5O5S2
Molecular Weight433.56 g/mol
Exact Mass433.15
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C16H27N5O5S2/c1-3-20(4-2)28(25,26)21-10-8-19(9-11-21)13-16(22)18-14-6-5-7-15(12-14)27(17,23)24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,22)(H2,17,23,24)
InChIKeyXRYCJJHNGZUPOD-UHFFFAOYSA-N
XLogP-0.52
TPSA133.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 16597974
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
CID 16597807
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide
CID 55684313
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16597959
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide (CID 43039531) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is XRYCJJHNGZUPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O5S2/c1-3-20(4-2)28(25,26)21-10-8-19(9-11-21)13-16(22)18-14-6-5-7-15(12-14)27(17,23)24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,22)(H2,17,23,24).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 433.56 g/mol, XLogP of -0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 43039531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).