N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

C20H20N2O3S2 — CID 17473073

IUPACN-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-4-9-17(14(2)10-13)21-19(23)11-20-22-18(12-26-20)15-5-7-16(8-6-15)27(3,24)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyHPACDVBUOGGCPF-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.01
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 17473073) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID17473073
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-4-9-17(14(2)10-13)21-19(23)11-20-22-18(12-26-20)15-5-7-16(8-6-15)27(3,24)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyHPACDVBUOGGCPF-UHFFFAOYSA-N
XLogP4.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17458338
sodium 2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetate
CID 50987266
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154725794
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
2-[[4-(2-bromoethyl)-2,5-dimethylphenyl]methyl]-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 89426358

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (CID 17473073) is N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPACDVBUOGGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-4-9-17(14(2)10-13)21-19(23)11-20-22-18(12-26-20)15-5-7-16(8-6-15)27(3,24)25/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 17473073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).