4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C21H26N2O5S — CID 55817562

IUPAC4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C21H26N2O5S/c1-3-28-18-12-11-16(15-19(18)27-2)21(24)22-17-9-5-6-10-20(17)29(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQICCBSGEAYHYKB-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.52
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 55817562) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID55817562
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C21H26N2O5S/c1-3-28-18-12-11-16(15-19(18)27-2)21(24)22-17-9-5-6-10-20(17)29(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQICCBSGEAYHYKB-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 55817562) is 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is QICCBSGEAYHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-28-18-12-11-16(15-19(18)27-2)21(24)22-17-9-5-6-10-20(17)29(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55817562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).