N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C30H25N3O3S2 — CID 10302380

IUPACN-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C30H25N3O3S2/c1-20-7-6-10-23(17-20)28-29(37-30(33-28)22-11-13-25(14-12-22)38(2,35)36)24-15-16-31-26(19-24)32-27(34)18-21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,31,32,34)
InChIKeyDWRZQPYLTVJMKG-UHFFFAOYSA-N
MW539.68 g/mol
LogP6.43
Rot. Bonds7

About N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 10302380) has the molecular formula C30H25N3O3S2 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID10302380
Molecular FormulaC30H25N3O3S2
Molecular Weight539.68 g/mol
Exact Mass539.13
IUPAC NameN-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C30H25N3O3S2/c1-20-7-6-10-23(17-20)28-29(37-30(33-28)22-11-13-25(14-12-22)38(2,35)36)24-15-16-31-26(19-24)32-27(34)18-21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,31,32,34)
InChIKeyDWRZQPYLTVJMKG-UHFFFAOYSA-N
XLogP6.43
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
Tak-715
CID 9952773
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
2-(3-fluorophenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 8123789
2-(2-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123825
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
CID 9924607
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]acetamide
CID 9945764
Benzyl-{4-[2-(4-methanesulfonyl-phenyl)-4-m-tolyl-thiazol-5-yl]-pyridin-2-yl}-amine
CID 10142340
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]butanamide
CID 10155744
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]cyclohexanecarboxamide
CID 10158193
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10165183

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 10302380) is N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is DWRZQPYLTVJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3S2/c1-20-7-6-10-23(17-20)28-29(37-30(33-28)22-11-13-25(14-12-22)38(2,35)36)24-15-16-31-26(19-24)32-27(34)18-21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,31,32,34).
What are the key properties of N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 539.68 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 10302380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).