N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide

C21H26N2O3S2 — CID 9328413

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H26N2O3S2/c1-16-10-12-23(13-11-16)28(25,26)20-8-6-19(7-9-20)22-21(24)18-5-3-4-17(14-18)15-27-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyCLMAJRWQYFZBAS-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 9328413) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID9328413
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H26N2O3S2/c1-16-10-12-23(13-11-16)28(25,26)20-8-6-19(7-9-20)22-21(24)18-5-3-4-17(14-18)15-27-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyCLMAJRWQYFZBAS-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 1011635
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 31512558
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
CID 39991070
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9183599
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142671
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134649
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide (CID 9328413) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is CLMAJRWQYFZBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-16-10-12-23(13-11-16)28(25,26)20-8-6-19(7-9-20)22-21(24)18-5-3-4-17(14-18)15-27-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 418.58 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9328413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).