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

C22H23N3O3S2 — CID 39015726

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C22H23N3O3S2/c1-16-7-3-4-8-19(16)20-15-29-22(23-20)24-21(26)17-9-11-18(12-10-17)30(27,28)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,26)
InChIKeyQOFAEKJVEUOVIA-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.55
Rot. Bonds5

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

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 39015726) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID39015726
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C22H23N3O3S2/c1-16-7-3-4-8-19(16)20-15-29-22(23-20)24-21(26)17-9-11-18(12-10-17)30(27,28)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,26)
InChIKeyQOFAEKJVEUOVIA-UHFFFAOYSA-N
XLogP4.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 824266
2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
CID 132473003
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
N-(4-(2,4-Dimethylphenyl)-2-thiazolyl)benzamide
CID 959043
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139360
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-thiophenecarboxamide
CID 1161245
2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 1236908
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 1811788

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 39015726) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is Cc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QOFAEKJVEUOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-16-7-3-4-8-19(16)20-15-29-22(23-20)24-21(26)17-9-11-18(12-10-17)30(27,28)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 441.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 39015726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).