N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

C19H21F3N4O4S2 — CID 26305798

IUPACN-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC(=O)NCc1cccs1
InChIInChI=1S/C19H21F3N4O4S2/c20-19(21,22)14-3-5-16(6-4-14)32(29,30)26-9-7-25(8-10-26)13-17(27)24-18(28)23-12-15-2-1-11-31-15/h1-6,11H,7-10,12-13H2,(H2,23,24,27,28)
InChIKeyPHDIPSMQTWRGPD-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.10
Rot. Bonds6

About N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 26305798) has the molecular formula C19H21F3N4O4S2 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID26305798
Molecular FormulaC19H21F3N4O4S2
Molecular Weight490.53 g/mol
Exact Mass490.10
IUPAC NameN-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC(=O)NCc1cccs1
InChIInChI=1S/C19H21F3N4O4S2/c20-19(21,22)14-3-5-16(6-4-14)32(29,30)26-9-7-25(8-10-26)13-17(27)24-18(28)23-12-15-2-1-11-31-15/h1-6,11H,7-10,12-13H2,(H2,23,24,27,28)
InChIKeyPHDIPSMQTWRGPD-UHFFFAOYSA-N
XLogP2.10
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8597970
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 27185213
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 26305798) is N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC(=O)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is PHDIPSMQTWRGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4S2/c20-19(21,22)14-3-5-16(6-4-14)32(29,30)26-9-7-25(8-10-26)13-17(27)24-18(28)23-12-15-2-1-11-31-15/h1-6,11H,7-10,12-13H2,(H2,23,24,27,28).
What are the key properties of N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 490.53 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 26305798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).