4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C20H25N3O5S — CID 40647113

IUPAC4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)cn1
InChIInChI=1S/C20H25N3O5S/c1-14-6-4-5-11-23(14)29(25,26)18-12-15(7-9-17(18)27-2)20(24)22-16-8-10-19(28-3)21-13-16/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyNAUBUXOBNQLLHA-AWEZNQCLSA-N
MW419.50 g/mol
LogP2.91
Rot. Bonds6

About 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 40647113) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID40647113
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)cn1
InChIInChI=1S/C20H25N3O5S/c1-14-6-4-5-11-23(14)29(25,26)18-12-15(7-9-17(18)27-2)20(24)22-16-8-10-19(28-3)21-13-16/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyNAUBUXOBNQLLHA-AWEZNQCLSA-N
XLogP2.91
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26012135
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 40647113) is 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)cn1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is NAUBUXOBNQLLHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14-6-4-5-11-23(14)29(25,26)18-12-15(7-9-17(18)27-2)20(24)22-16-8-10-19(28-3)21-13-16/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 40647113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).