4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide

C17H25N3O4S — CID 112990991

IUPAC4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-13-8-10-20(11-9-13)16(21)12-18-17(22)14-4-6-15(7-5-14)25(23,24)19(2)3/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyNNVLYULGVJTDHY-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.93
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 112990991) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID112990991
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-13-8-10-20(11-9-13)16(21)12-18-17(22)14-4-6-15(7-5-14)25(23,24)19(2)3/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyNNVLYULGVJTDHY-UHFFFAOYSA-N
XLogP0.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991821
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603726
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
1-[2-(dimethylsulfamoylamino)acetyl]-4-methylpiperidine
CID 112991016
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835990
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 112990991) is 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is CC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is NNVLYULGVJTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-8-10-20(11-9-13)16(21)12-18-17(22)14-4-6-15(7-5-14)25(23,24)19(2)3/h4-7,13H,8-12H2,1-3H3,(H,18,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 112990991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).