N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

C20H28N4O3S2 — CID 30463398

IUPACN-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1
InChIInChI=1S/C20H28N4O3S2/c1-15(25)21-16-5-7-17(8-6-16)29(26,27)24-11-9-23(10-12-24)13-19-22-18(14-28-19)20(2,3)4/h5-8,14H,9-13H2,1-4H3,(H,21,25)
InChIKeyDOPZTXVBRHKOSU-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.91
Rot. Bonds5

About N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 30463398) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID30463398
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1
InChIInChI=1S/C20H28N4O3S2/c1-15(25)21-16-5-7-17(8-6-16)29(26,27)24-11-9-23(10-12-24)13-19-22-18(14-28-19)20(2,3)4/h5-8,14H,9-13H2,1-4H3,(H,21,25)
InChIKeyDOPZTXVBRHKOSU-UHFFFAOYSA-N
XLogP2.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-methyl-thiazol-4-ylmethyl)-piperazine-1-sulfonyl]-phenyl]-acetamide
CID 574577
N-[4-({[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}sulfonyl)phenyl]acetamide
CID 2196104
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2998400
N-[4-({[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 3241778
N-[4-({2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}sulfamoyl)phenyl]acetamide
CID 16832456
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2532925
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 3241749
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4781030
N-(4-(N-(2-(2-methylthiazol-4-yl)ethyl)sulfamoyl)phenyl)acetamide
CID 3243012
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4868872
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 5094095
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455564

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 30463398) is N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DOPZTXVBRHKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-15(25)21-16-5-7-17(8-6-16)29(26,27)24-11-9-23(10-12-24)13-19-22-18(14-28-19)20(2,3)4/h5-8,14H,9-13H2,1-4H3,(H,21,25).
What are the key properties of N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 30463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).