N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide

C22H28N2O5S — CID 108559133

IUPACN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-16-5-8-19(9-6-16)30(26,27)24-13-11-18(12-14-24)23-22(25)17-7-10-20(28-2)21(15-17)29-3/h5-10,15,18H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyHJZHPTPMAPMMNI-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.85
Rot. Bonds7

About N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide

N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 108559133) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID108559133
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-16-5-8-19(9-6-16)30(26,27)24-13-11-18(12-14-24)23-22(25)17-7-10-20(28-2)21(15-17)29-3/h5-10,15,18H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyHJZHPTPMAPMMNI-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562882
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449440
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide (CID 108559133) is N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide is CCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is HJZHPTPMAPMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-4-16-5-8-19(9-6-16)30(26,27)24-13-11-18(12-14-24)23-22(25)17-7-10-20(28-2)21(15-17)29-3/h5-10,15,18H,4,11-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide?
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 432.54 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108559133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).