2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide

C17H26N4O4S — CID 2122071

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)26(24,25)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23)
InChIKeyPRSGEYOWRHYBFP-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.62
Rot. Bonds4

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 2122071) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID2122071
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)26(24,25)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23)
InChIKeyPRSGEYOWRHYBFP-UHFFFAOYSA-N
XLogP0.62
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide (CID 2122071) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is PRSGEYOWRHYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)26(24,25)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 2122071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).