N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C20H25N3O4S — CID 55707675

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccn1
InChIInChI=1S/C20H25N3O4S/c1-2-27-19-13-16(9-10-21-19)15-22-20(24)17-7-6-8-18(14-17)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,22,24)
InChIKeyLCZVZTWTVJCOLB-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.58
Rot. Bonds7

About N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55707675) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55707675
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccn1
InChIInChI=1S/C20H25N3O4S/c1-2-27-19-13-16(9-10-21-19)15-22-20(24)17-7-6-8-18(14-17)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,22,24)
InChIKeyLCZVZTWTVJCOLB-UHFFFAOYSA-N
XLogP2.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55707554
N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 53286046
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 53285618
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55707675) is N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is CCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LCZVZTWTVJCOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-27-19-13-16(9-10-21-19)15-22-20(24)17-7-6-8-18(14-17)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,22,24).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55707675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).