N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

C25H24N4O3S2 — CID 21051318

IUPACN-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCc1nc(N(CCc2ccncc2)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C25H24N4O3S2/c1-18-24(34(26,31)32)33-25(28-18)29(16-13-19-11-14-27-15-12-19)23(30)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,14-15H,13,16-17H2,1H3,(H2,26,31,32)
InChIKeyUXJGRKCXCGZFIY-UHFFFAOYSA-N
MW492.63 g/mol
LogP3.98
Rot. Bonds8

About N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 21051318) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID21051318
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC NameN-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCc1nc(N(CCc2ccncc2)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C25H24N4O3S2/c1-18-24(34(26,31)32)33-25(28-18)29(16-13-19-11-14-27-15-12-19)23(30)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,14-15H,13,16-17H2,1H3,(H2,26,31,32)
InChIKeyUXJGRKCXCGZFIY-UHFFFAOYSA-N
XLogP3.98
TPSA106.25 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 491941
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CID 123372490
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CID 504304
CID 504304
CID 2660503
CID 2660503
CID 10158193
CID 10158193
CID 10274130
CID 10274130
CID 10295235
CID 10295235
CID 10301843
CID 10301843
CID 10302380
CID 10302380
CID 11675697
CID 11675697
CID 21051363
CID 21051363
CID 21051367
CID 21051367

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (CID 21051318) is N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is Cc1nc(N(CCc2ccncc2)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is UXJGRKCXCGZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c1-18-24(34(26,31)32)33-25(28-18)29(16-13-19-11-14-27-15-12-19)23(30)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,14-15H,13,16-17H2,1H3,(H2,26,31,32).
What are the key properties of N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 492.63 g/mol, XLogP of 3.98, 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-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 21051318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).