N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

C23H25N3O3S2 — CID 150400889

IUPACN-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C23H25N3O3S2/c1-16-12-17(2)14-19(13-16)21-15-30-23(24-21)25-22(27)18-6-8-20(9-7-18)31(28,29)26-10-4-3-5-11-26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,24,25,27)
InChIKeyHDTGZSWRDFGXKW-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.85
Rot. Bonds5

About N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 150400889) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID150400889
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C23H25N3O3S2/c1-16-12-17(2)14-19(13-16)21-15-30-23(24-21)25-22(27)18-6-8-20(9-7-18)31(28,29)26-10-4-3-5-11-26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,24,25,27)
InChIKeyHDTGZSWRDFGXKW-UHFFFAOYSA-N
XLogP4.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 150400889) is N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1.
What is the InChIKey of N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HDTGZSWRDFGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-16-12-17(2)14-19(13-16)21-15-30-23(24-21)25-22(27)18-6-8-20(9-7-18)31(28,29)26-10-4-3-5-11-26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 455.61 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 150400889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).