N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C22H28N2O4S — CID 53281847

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-12-20(29(26,27)24-13-5-4-6-14-24)15-21(16)22(25)23-17(2)18-8-10-19(28-3)11-9-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyHGLQUPIQUWKFFU-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 53281847) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID53281847
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-12-20(29(26,27)24-13-5-4-6-14-24)15-21(16)22(25)23-17(2)18-8-10-19(28-3)11-9-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyHGLQUPIQUWKFFU-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
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
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94018529
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41077425
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43006589
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 41155776
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 53281847) is N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HGLQUPIQUWKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-12-20(29(26,27)24-13-5-4-6-14-24)15-21(16)22(25)23-17(2)18-8-10-19(28-3)11-9-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 53281847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).