3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

C20H31N3O3S — CID 16734523

IUPAC3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCNc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H31N3O3S/c1-19(2)14-9-10-20(3,12-14)18(19)22-17(24)13-7-8-15(21-4)16(11-13)27(25,26)23(5)6/h7-8,11,14,18,21H,9-10,12H2,1-6H3,(H,22,24)/t14-,18?,20-/m1/s1
InChIKeyGVBSGUFJQDMPDE-WIXGBYQCSA-N
MW393.55 g/mol
LogP2.92
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 16734523) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID16734523
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCNc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H31N3O3S/c1-19(2)14-9-10-20(3,12-14)18(19)22-17(24)13-7-8-15(21-4)16(11-13)27(25,26)23(5)6/h7-8,11,14,18,21H,9-10,12H2,1-6H3,(H,22,24)/t14-,18?,20-/m1/s1
InChIKeyGVBSGUFJQDMPDE-WIXGBYQCSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (CID 16734523) is 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is CNc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is GVBSGUFJQDMPDE-WIXGBYQCSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-19(2)14-9-10-20(3,12-14)18(19)22-17(24)13-7-8-15(21-4)16(11-13)27(25,26)23(5)6/h7-8,11,14,18,21H,9-10,12H2,1-6H3,(H,22,24)/t14-,18?,20-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-(methylamino)-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 16734523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).