3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide

C24H32N2O5S — CID 17256634

IUPAC3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-4-20-9-7-8-16-26(20)32(28,29)21-13-11-19(12-14-21)25-24(27)18-10-15-22(30-5-2)23(17-18)31-6-3/h10-15,17,20H,4-9,16H2,1-3H3,(H,25,27)
InChIKeyURCFTZQKOHUQGM-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.69
Rot. Bonds9

About 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide

3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17256634) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17256634
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-4-20-9-7-8-16-26(20)32(28,29)21-13-11-19(12-14-21)25-24(27)18-10-15-22(30-5-2)23(17-18)31-6-3/h10-15,17,20H,4-9,16H2,1-3H3,(H,25,27)
InChIKeyURCFTZQKOHUQGM-UHFFFAOYSA-N
XLogP4.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17256634) is 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is URCFTZQKOHUQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-4-20-9-7-8-16-26(20)32(28,29)21-13-11-19(12-14-21)25-24(27)18-10-15-22(30-5-2)23(17-18)31-6-3/h10-15,17,20H,4-9,16H2,1-3H3,(H,25,27).
What are the key properties of 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17256634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).