3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C22H27N3O4S — CID 992258

IUPAC3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16-11-13-25(14-12-16)22(27)19-9-4-5-10-20(19)23-21(26)17-7-6-8-18(15-17)30(28,29)24(2)3/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)
InChIKeySEGRMUXZQBZRAF-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.06
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 992258) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID992258
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16-11-13-25(14-12-16)22(27)19-9-4-5-10-20(19)23-21(26)17-7-6-8-18(15-17)30(28,29)24(2)3/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)
InChIKeySEGRMUXZQBZRAF-UHFFFAOYSA-N
XLogP3.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 992258) is 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SEGRMUXZQBZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16-11-13-25(14-12-16)22(27)19-9-4-5-10-20(19)23-21(26)17-7-6-8-18(15-17)30(28,29)24(2)3/h4-10,15-16H,11-14H2,1-3H3,(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 992258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).