2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C18H29N5O5S2 — CID 33439918

IUPAC2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)C[C@H](C)O1
InChIInChI=1S/C18H29N5O5S2/c1-14-11-23(12-15(2)28-14)30(26,27)22-7-5-21(6-8-22)13-17(24)20-18(25)19-10-16-4-3-9-29-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H2,19,20,24,25)/t14-,15-/m0/s1
InChIKeyFACBMQOXVPEGPV-GJZGRUSLSA-N
MW459.59 g/mol
LogP0.05
Rot. Bonds6

About 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 33439918) has the molecular formula C18H29N5O5S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID33439918
Molecular FormulaC18H29N5O5S2
Molecular Weight459.59 g/mol
Exact Mass459.16
IUPAC Name2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)C[C@H](C)O1
InChIInChI=1S/C18H29N5O5S2/c1-14-11-23(12-15(2)28-14)30(26,27)22-7-5-21(6-8-22)13-17(24)20-18(25)19-10-16-4-3-9-29-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H2,19,20,24,25)/t14-,15-/m0/s1
InChIKeyFACBMQOXVPEGPV-GJZGRUSLSA-N
XLogP0.05
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
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
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
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 33439918) is 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is FACBMQOXVPEGPV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H29N5O5S2/c1-14-11-23(12-15(2)28-14)30(26,27)22-7-5-21(6-8-22)13-17(24)20-18(25)19-10-16-4-3-9-29-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H2,19,20,24,25)/t14-,15-/m0/s1.
What are the key properties of 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 33439918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).