2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide

C24H27N3O3S2 — CID 16559311

IUPAC2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)s2)c1
InChIInChI=1S/C24H27N3O3S2/c1-17-7-6-8-19(13-17)14-20-16-25-24(31-20)26-23(28)22-15-21(10-9-18(22)2)32(29,30)27-11-4-3-5-12-27/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3,(H,25,26,28)
InChIKeyLELPBSZARSDAPB-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.78
Rot. Bonds6

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

2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 16559311) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID16559311
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)s2)c1
InChIInChI=1S/C24H27N3O3S2/c1-17-7-6-8-19(13-17)14-20-16-25-24(31-20)26-23(28)22-15-21(10-9-18(22)2)32(29,30)27-11-4-3-5-12-27/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3,(H,25,26,28)
InChIKeyLELPBSZARSDAPB-UHFFFAOYSA-N
XLogP4.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 37149211
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide (CID 16559311) is 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide is Cc1cccc(Cc2cnc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)s2)c1.
What is the InChIKey of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LELPBSZARSDAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-17-7-6-8-19(13-17)14-20-16-25-24(31-20)26-23(28)22-15-21(10-9-18(22)2)32(29,30)27-11-4-3-5-12-27/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3,(H,25,26,28).
What are the key properties of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16559311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).