2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C21H26N2O3S — CID 9492798

IUPAC2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-21(24)20-14-16(2)4-5-17(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyVDHJUYFZPWGHSB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.98
Rot. Bonds4

About 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 9492798) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID9492798
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-21(24)20-14-16(2)4-5-17(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeyVDHJUYFZPWGHSB-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882746
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 28536842
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 46772986
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 9492798) is 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is VDHJUYFZPWGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-21(24)20-14-16(2)4-5-17(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 9492798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).