N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

C22H28N2O5S — CID 55588295

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-16(18-12-11-17(28-2)15-20(18)29-3)23-22(25)19-9-5-6-10-21(19)30(26,27)24-13-7-4-8-14-24/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,23,25)
InChIKeyIHTYDWTUXFQAIG-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.37
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55588295) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55588295
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-16(18-12-11-17(28-2)15-20(18)29-3)23-22(25)19-9-5-6-10-21(19)30(26,27)24-13-7-4-8-14-24/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,23,25)
InChIKeyIHTYDWTUXFQAIG-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625600
methyl 2-[4-[1-(2,4-dimethoxyphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55579519
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 133210137
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671764
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955734
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (CID 55588295) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IHTYDWTUXFQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(18-12-11-17(28-2)15-20(18)29-3)23-22(25)19-9-5-6-10-21(19)30(26,27)24-13-7-4-8-14-24/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 432.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55588295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).