N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

C24H31N3O3S — CID 29200072

IUPACN-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)c1C
InChIInChI=1S/C24H31N3O3S/c1-18-9-8-10-22(19(18)2)25-24(28)21-17-20(11-12-23(21)26-13-6-7-14-26)31(29,30)27-15-4-3-5-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28)
InChIKeyOAHYVPDTMATMGP-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.33
Rot. Bonds5

About N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 29200072) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
PubChem CID29200072
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)c1C
InChIInChI=1S/C24H31N3O3S/c1-18-9-8-10-22(19(18)2)25-24(28)21-17-20(11-12-23(21)26-13-6-7-14-26)31(29,30)27-15-4-3-5-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28)
InChIKeyOAHYVPDTMATMGP-UHFFFAOYSA-N
XLogP4.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (CID 29200072) is N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is OAHYVPDTMATMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-9-8-10-22(19(18)2)25-24(28)21-17-20(11-12-23(21)26-13-6-7-14-26)31(29,30)27-15-4-3-5-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 441.60 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 29200072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).