2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C16H27N5O4S2 — CID 55498848

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H27N5O4S2/c1-3-20(4-2)27(24,25)21-9-7-19(8-10-21)13-15(22)18-16(23)17-12-14-6-5-11-26-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H2,17,18,22,23)
InChIKeyUBBXJORRWASRGJ-UHFFFAOYSA-N
MW417.56 g/mol
LogP0.28
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 55498848) has the molecular formula C16H27N5O4S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID55498848
Molecular FormulaC16H27N5O4S2
Molecular Weight417.56 g/mol
Exact Mass417.15
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H27N5O4S2/c1-3-20(4-2)27(24,25)21-9-7-19(8-10-21)13-15(22)18-16(23)17-12-14-6-5-11-26-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H2,17,18,22,23)
InChIKeyUBBXJORRWASRGJ-UHFFFAOYSA-N
XLogP0.28
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26305798
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55930197
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 55498848) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is UBBXJORRWASRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S2/c1-3-20(4-2)27(24,25)21-9-7-19(8-10-21)13-15(22)18-16(23)17-12-14-6-5-11-26-14/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H2,17,18,22,23).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 417.56 g/mol, XLogP of 0.28, 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-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 55498848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).