2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H16N2O3S2 — CID 3741724

IUPAC2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-13-7-9-15(10-8-13)25(22,23)12-17(21)20-18-19-16(11-24-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyUSJZZLMWFNXMED-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3741724) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3741724
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-13-7-9-15(10-8-13)25(22,23)12-17(21)20-18-19-16(11-24-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyUSJZZLMWFNXMED-UHFFFAOYSA-N
XLogP3.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cinnamamido-4-phenylthiazole
CID 690181
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 346945
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 7597179
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
N-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 868830
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3741724) is 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is USJZZLMWFNXMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-13-7-9-15(10-8-13)25(22,23)12-17(21)20-18-19-16(11-24-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3741724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).