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

C21H26N2O4S2 — CID 1078880

IUPAC2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-10-12-23(13-11-15)29(25,26)18-7-4-16(5-8-18)22-21(24)19-9-6-17(28-3)14-20(19)27-2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyWRYZJRIWQGTPMS-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.09
Rot. Bonds6

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

2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide (PubChem CID 1078880) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
PubChem CID1078880
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-10-12-23(13-11-15)29(25,26)18-7-4-16(5-8-18)22-21(24)19-9-6-17(28-3)14-20(19)27-2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyWRYZJRIWQGTPMS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
CID 41300075
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 17320710
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 28536842

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide (CID 1078880) is 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide?
The InChIKey is WRYZJRIWQGTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-15-10-12-23(13-11-15)29(25,26)18-7-4-16(5-8-18)22-21(24)19-9-6-17(28-3)14-20(19)27-2/h4-9,14-15H,10-13H2,1-3H3,(H,22,24).
What are the key properties of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide?
2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide has a molecular weight of 434.58 g/mol, XLogP of 4.09, 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-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 1078880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).