N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O5S — CID 19059853

IUPACN-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H24N2O5S/c1-14-6-7-15(12-19(14)28(24,25)22-10-4-5-11-22)20(23)21-17-13-16(26-2)8-9-18(17)27-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyIJKBRUWIGHNBFQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.05
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 19059853) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID19059853
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H24N2O5S/c1-14-6-7-15(12-19(14)28(24,25)22-10-4-5-11-22)20(23)21-17-13-16(26-2)8-9-18(17)27-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyIJKBRUWIGHNBFQ-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2-butoxy-5-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55675453
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 133210137
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 43910285
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 19059853) is N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IJKBRUWIGHNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14-6-7-15(12-19(14)28(24,25)22-10-4-5-11-22)20(23)21-17-13-16(26-2)8-9-18(17)27-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 404.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 19059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).