4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

C20H33N3O3S — CID 55588604

IUPAC4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-16(2)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)18-8-6-17(7-9-18)20(3,4)5/h6-9,16,21H,10-15H2,1-5H3
InChIKeyJGUJKSKCPKDFHM-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.21
Rot. Bonds6

About 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 55588604) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID55588604
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-16(2)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)18-8-6-17(7-9-18)20(3,4)5/h6-9,16,21H,10-15H2,1-5H3
InChIKeyJGUJKSKCPKDFHM-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 134015012
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 90589242
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 24552345
4-tert-butyl-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24543629
4-tert-butyl-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119492656
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-tert-butyl-N-[3-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121155111
4-tert-butyl-N-[3-oxo-3-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 124892637
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (CID 55588604) is 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is CC(C)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is JGUJKSKCPKDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-16(2)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)18-8-6-17(7-9-18)20(3,4)5/h6-9,16,21H,10-15H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 395.57 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 55588604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).