N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C25H24N4O3S2 — CID 21051316

IUPACN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(Cc2cccnc2)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C25H24N4O3S2/c1-18-24(34(31,32)26-2)33-25(28-18)29(17-20-7-6-14-27-16-20)23(30)15-19-10-12-22(13-11-19)21-8-4-3-5-9-21/h3-14,16,26H,15,17H2,1-2H3
InChIKeyRHWIYNHERZJLKQ-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.20
Rot. Bonds8

About N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide

N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 21051316) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID21051316
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC NameN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(Cc2cccnc2)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C25H24N4O3S2/c1-18-24(34(31,32)26-2)33-25(28-18)29(17-20-7-6-14-27-16-20)23(30)15-19-10-12-22(13-11-19)21-8-4-3-5-9-21/h3-14,16,26H,15,17H2,1-2H3
InChIKeyRHWIYNHERZJLKQ-UHFFFAOYSA-N
XLogP4.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.20
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
N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 504304
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]cyclohexanecarboxamide
CID 10158193
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-3-phenyl-propionamide
CID 10274130
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]benzamide
CID 10301843
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10302380
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 21051316) is N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide is CNS(=O)(=O)c1sc(N(Cc2cccnc2)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C.
What is the InChIKey of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RHWIYNHERZJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c1-18-24(34(31,32)26-2)33-25(28-18)29(17-20-7-6-14-27-16-20)23(30)15-19-10-12-22(13-11-19)21-8-4-3-5-9-21/h3-14,16,26H,15,17H2,1-2H3.
What are the key properties of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 492.63 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 21051316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).