N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C28H25N3O4S2 — CID 3991022

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H25N3O4S2/c32-25(21-12-6-2-7-13-21)26-24(20-10-4-1-5-11-20)29-28(36-26)30-27(33)22-14-16-23(17-15-22)37(34,35)31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-19H2,(H,29,30,33)
InChIKeyHCDDRTVLFZEHEY-UHFFFAOYSA-N
MW531.66 g/mol
LogP5.47
Rot. Bonds7

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 3991022) has the molecular formula C28H25N3O4S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID3991022
Molecular FormulaC28H25N3O4S2
Molecular Weight531.66 g/mol
Exact Mass531.13
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H25N3O4S2/c32-25(21-12-6-2-7-13-21)26-24(20-10-4-1-5-11-20)29-28(36-26)30-27(33)22-14-16-23(17-15-22)37(34,35)31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-19H2,(H,29,30,33)
InChIKeyHCDDRTVLFZEHEY-UHFFFAOYSA-N
XLogP5.47
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 3991022) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HCDDRTVLFZEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S2/c32-25(21-12-6-2-7-13-21)26-24(20-10-4-1-5-11-20)29-28(36-26)30-27(33)22-14-16-23(17-15-22)37(34,35)31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-19H2,(H,29,30,33).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 531.66 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3991022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).