2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide

C22H22N2O3S2 — CID 166333483

IUPAC2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide
SMILESCc1csc(-c2cccc(S(=O)(=O)NC(=O)Cc3ccc(C4CCC4)cc3)c2)n1
InChIInChI=1S/C22H22N2O3S2/c1-15-14-28-22(23-15)19-6-3-7-20(13-19)29(26,27)24-21(25)12-16-8-10-18(11-9-16)17-4-2-5-17/h3,6-11,13-14,17H,2,4-5,12H2,1H3,(H,24,25)
InChIKeyKOOQHMLSQJPHAM-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide

2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide (PubChem CID 166333483) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide
PubChem CID166333483
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide
SMILESCc1csc(-c2cccc(S(=O)(=O)NC(=O)Cc3ccc(C4CCC4)cc3)c2)n1
InChIInChI=1S/C22H22N2O3S2/c1-15-14-28-22(23-15)19-6-3-7-20(13-19)29(26,27)24-21(25)12-16-8-10-18(11-9-16)17-4-2-5-17/h3,6-11,13-14,17H,2,4-5,12H2,1H3,(H,24,25)
InChIKeyKOOQHMLSQJPHAM-UHFFFAOYSA-N
XLogP4.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
N-[(1-aminocyclohexyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
CID 120998697
3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 167858511
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole
CID 119037881
N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide
CID 166182822
N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 110444632
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone;dihydrochloride
CID 119649898

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide?
The IUPAC name of 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide (CID 166333483) is 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide is Cc1csc(-c2cccc(S(=O)(=O)NC(=O)Cc3ccc(C4CCC4)cc3)c2)n1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide?
The InChIKey is KOOQHMLSQJPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-15-14-28-22(23-15)19-6-3-7-20(13-19)29(26,27)24-21(25)12-16-8-10-18(11-9-16)17-4-2-5-17/h3,6-11,13-14,17H,2,4-5,12H2,1H3,(H,24,25).
What are the key properties of 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide?
2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide has a molecular weight of 426.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 166333483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).