N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide

C17H22N2O3S2 — CID 87026704

IUPACN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(Cc2sc(NC(=O)CS(=O)(=O)C(C)C)nc2C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-11(2)24(21,22)10-16(20)19-17-18-13(4)15(23-17)9-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyNASTUEKAJFAPEX-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.11
Rot. Bonds6

About N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide (PubChem CID 87026704) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
PubChem CID87026704
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(Cc2sc(NC(=O)CS(=O)(=O)C(C)C)nc2C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-11(2)24(21,22)10-16(20)19-17-18-13(4)15(23-17)9-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyNASTUEKAJFAPEX-UHFFFAOYSA-N
XLogP3.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55895813
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55896712
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide (CID 87026704) is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide is Cc1ccc(Cc2sc(NC(=O)CS(=O)(=O)C(C)C)nc2C)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is NASTUEKAJFAPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-11(2)24(21,22)10-16(20)19-17-18-13(4)15(23-17)9-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20).
What are the key properties of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide?
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 366.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 87026704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).