N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide

C19H25N3O3S2 — CID 71842140

IUPACN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)n1
InChIInChI=1S/C19H25N3O3S2/c1-13-8-14(2)10-18(9-13)27(24,25)22-6-4-16(5-7-22)19-21-17(12-26-19)11-20-15(3)23/h8-10,12,16H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyHCESBJBZEOCAGH-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.96
Rot. Bonds5

About N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide

N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 71842140) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID71842140
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)n1
InChIInChI=1S/C19H25N3O3S2/c1-13-8-14(2)10-18(9-13)27(24,25)22-6-4-16(5-7-22)19-21-17(12-26-19)11-20-15(3)23/h8-10,12,16H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyHCESBJBZEOCAGH-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842117
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 95097211
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
2-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]-4-methyl-1,3-thiazole
CID 56510041
N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3846214
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3309773
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 71842140) is N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)n1.
What is the InChIKey of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is HCESBJBZEOCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-13-8-14(2)10-18(9-13)27(24,25)22-6-4-16(5-7-22)19-21-17(12-26-19)11-20-15(3)23/h8-10,12,16H,4-7,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 71842140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).