2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide

C21H26N2O4S2 — CID 41300075

IUPAC2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-6-4-5-13-23(15)29(25,26)18-10-7-16(8-11-18)22-21(24)19-12-9-17(28-3)14-20(19)27-2/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyHAOCWNJRYXZSNA-HNNXBMFYSA-N
MW434.58 g/mol
LogP4.23
Rot. Bonds6

About 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide

2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide (PubChem CID 41300075) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
PubChem CID41300075
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-6-4-5-13-23(15)29(25,26)18-10-7-16(8-11-18)22-21(24)19-12-9-17(28-3)14-20(19)27-2/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyHAOCWNJRYXZSNA-HNNXBMFYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 17320710
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684542
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55389570
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide (CID 41300075) is 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide?
The InChIKey is HAOCWNJRYXZSNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-15-6-4-5-13-23(15)29(25,26)18-10-7-16(8-11-18)22-21(24)19-12-9-17(28-3)14-20(19)27-2/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide?
2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide has a molecular weight of 434.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 41300075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).