N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide

C24H31N3O4S — CID 26909307

IUPACN-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H31N3O4S/c1-18-6-7-19(2)22(16-18)25-24(28)21-17-20(32(29,30)27-12-14-31-15-13-27)8-9-23(21)26-10-4-3-5-11-26/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,25,28)
InChIKeyMZTRWPHPXYAISO-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.57
Rot. Bonds5

About N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide

N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide (PubChem CID 26909307) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
PubChem CID26909307
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H31N3O4S/c1-18-6-7-19(2)22(16-18)25-24(28)21-17-20(32(29,30)27-12-14-31-15-13-27)8-9-23(21)26-10-4-3-5-11-26/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,25,28)
InChIKeyMZTRWPHPXYAISO-UHFFFAOYSA-N
XLogP3.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24687814
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
N-(2-fluoro-5-nitrophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 55363320
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide (CID 26909307) is N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide is Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide?
The InChIKey is MZTRWPHPXYAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-6-7-19(2)22(16-18)25-24(28)21-17-20(32(29,30)27-12-14-31-15-13-27)8-9-23(21)26-10-4-3-5-11-26/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide?
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 26909307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).