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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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
CID 41145803
N-[4-(3-Chlorophenyl)-5-(2-chlorobenzoyl)thiazole-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
CID 56837193
2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
CID 132473003
N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 162665401
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4093356
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-(5-(4-Methylbenzoyl)-4-phenylthiazol-2-yl)benzamide
CID 46228971
2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 56847994
N-[5-benzoyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 56848095
N-[5-benzoyl-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 56848145
N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 60142607

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).