N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C21H27N3O4S — CID 55707761

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)ccn1
InChIInChI=1S/C21H27N3O4S/c1-3-28-20-13-17(10-11-22-20)15-23-21(25)18-8-6-9-19(14-18)29(26,27)24-12-5-4-7-16(24)2/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(H,23,25)
InChIKeyASRYOPMLGBCTLJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.97
Rot. Bonds7

About N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55707761) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55707761
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)ccn1
InChIInChI=1S/C21H27N3O4S/c1-3-28-20-13-17(10-11-22-20)15-23-21(25)18-8-6-9-19(14-18)29(26,27)24-12-5-4-7-16(24)2/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(H,23,25)
InChIKeyASRYOPMLGBCTLJ-UHFFFAOYSA-N
XLogP2.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55707675
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55659114
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 78836589
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55726057

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55707761) is N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCOc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is ASRYOPMLGBCTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-28-20-13-17(10-11-22-20)15-23-21(25)18-8-6-9-19(14-18)29(26,27)24-12-5-4-7-16(24)2/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.97, 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-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55707761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).