N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C25H33N3O4S — CID 27873551

IUPACN-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H33N3O4S/c1-2-32-23-12-6-5-11-21(23)26-25(29)20-13-14-22(27-15-7-3-8-16-27)24(19-20)33(30,31)28-17-9-4-10-18-28/h5-6,11-14,19H,2-4,7-10,15-18H2,1H3,(H,26,29)
InChIKeyNGDIUJLTIYEOIY-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.50
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27873551) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27873551
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H33N3O4S/c1-2-32-23-12-6-5-11-21(23)26-25(29)20-13-14-22(27-15-7-3-8-16-27)24(19-20)33(30,31)28-17-9-4-10-18-28/h5-6,11-14,19H,2-4,7-10,15-18H2,1H3,(H,26,29)
InChIKeyNGDIUJLTIYEOIY-UHFFFAOYSA-N
XLogP4.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 46349228
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
CID 5058623
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24538191
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 27873551) is N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is CCOc1ccccc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NGDIUJLTIYEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-2-32-23-12-6-5-11-21(23)26-25(29)20-13-14-22(27-15-7-3-8-16-27)24(19-20)33(30,31)28-17-9-4-10-18-28/h5-6,11-14,19H,2-4,7-10,15-18H2,1H3,(H,26,29).
What are the key properties of N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 471.62 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27873551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).