N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C22H28N2O5S — CID 33112136

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O5S/c1-16-7-9-19(30(26,27)24-11-5-4-6-12-24)14-20(16)22(25)23-15-17-13-18(28-2)8-10-21(17)29-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)
InChIKeyGTHXHXRDUKLNGE-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.12
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 33112136) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID33112136
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O5S/c1-16-7-9-19(30(26,27)24-11-5-4-6-12-24)14-20(16)22(25)23-15-17-13-18(28-2)8-10-21(17)29-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)
InChIKeyGTHXHXRDUKLNGE-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 41155776
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43006589
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
5-(azepan-1-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53066338
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 33112136) is N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(OC)c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GTHXHXRDUKLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-7-9-19(30(26,27)24-11-5-4-6-12-24)14-20(16)22(25)23-15-17-13-18(28-2)8-10-21(17)29-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 432.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 33112136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).