[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea

C17H26N4O4S — CID 9220162

IUPAC[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(N)=O)CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)13-4-6-14(7-5-13)26(24,25)21-10-8-20(9-11-21)15(22)12-19-16(18)23/h4-7H,8-12H2,1-3H3,(H3,18,19,23)
InChIKeyRICUPAIFUFYBDQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.49
Rot. Bonds4

About [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea

[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea (PubChem CID 9220162) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea
PubChem CID9220162
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(N)=O)CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)13-4-6-14(7-5-13)26(24,25)21-10-8-20(9-11-21)15(22)12-19-16(18)23/h4-7H,8-12H2,1-3H3,(H3,18,19,23)
InChIKeyRICUPAIFUFYBDQ-UHFFFAOYSA-N
XLogP0.49
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230393
trans-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230392
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
4-tert-butyl-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 26870631
4-(4-tert-butylphenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 8677525
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
CID 24683506
2-methyl-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]furan-3-carboxamide
CID 55834295
[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 24687153
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-tert-butylphenoxy)butan-1-one
CID 16550663
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea (CID 9220162) is [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(N)=O)CC2)cc1.
What is the InChIKey of [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is RICUPAIFUFYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-17(2,3)13-4-6-14(7-5-13)26(24,25)21-10-8-20(9-11-21)15(22)12-19-16(18)23/h4-7H,8-12H2,1-3H3,(H3,18,19,23).
What are the key properties of [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea?
[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 382.49 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 9220162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).