N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C19H28N4O4S — CID 6102954

IUPACN-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-19(2,3)21-18(25)20-17(24)15-22-10-12-23(13-11-22)28(26,27)14-9-16-7-5-4-6-8-16/h4-9,14H,10-13,15H2,1-3H3,(H2,20,21,24,25)/b14-9+
InChIKeyUGKKCZULXQRVPD-NTEUORMPSA-N
MW408.52 g/mol
LogP1.23
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 6102954) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID6102954
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-19(2,3)21-18(25)20-17(24)15-22-10-12-23(13-11-22)28(26,27)14-9-16-7-5-4-6-8-16/h4-9,14H,10-13,15H2,1-3H3,(H2,20,21,24,25)/b14-9+
InChIKeyUGKKCZULXQRVPD-NTEUORMPSA-N
XLogP1.23
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (CID 6102954) is N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is UGKKCZULXQRVPD-NTEUORMPSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-19(2,3)21-18(25)20-17(24)15-22-10-12-23(13-11-22)28(26,27)14-9-16-7-5-4-6-8-16/h4-9,14H,10-13,15H2,1-3H3,(H2,20,21,24,25)/b14-9+.
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 6102954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).