N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C23H28N2O3S — CID 18555718

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H28N2O3S/c1-14-5-4-6-20(16(14)3)25-29(27,28)22-13-19(9-7-15(22)2)23(26)24-21-12-17-8-10-18(21)11-17/h4-7,9,13,17-18,21,25H,8,10-12H2,1-3H3,(H,24,26)/t17-,18-,21-/m1/s1
InChIKeyUFOJLSDFJAEVNE-DBXWQHBBSA-N
MW412.56 g/mol
LogP4.33
Rot. Bonds5

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 18555718) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID18555718
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H28N2O3S/c1-14-5-4-6-20(16(14)3)25-29(27,28)22-13-19(9-7-15(22)2)23(26)24-21-12-17-8-10-18(21)11-17/h4-7,9,13,17-18,21,25H,8,10-12H2,1-3H3,(H,24,26)/t17-,18-,21-/m1/s1
InChIKeyUFOJLSDFJAEVNE-DBXWQHBBSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide with MolForge

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126411292
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
N-(2-cyclohexylsulfanylethyl)-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4686670
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
CID 43907762
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 1250809

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 18555718) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is UFOJLSDFJAEVNE-DBXWQHBBSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-14-5-4-6-20(16(14)3)25-29(27,28)22-13-19(9-7-15(22)2)23(26)24-21-12-17-8-10-18(21)11-17/h4-7,9,13,17-18,21,25H,8,10-12H2,1-3H3,(H,24,26)/t17-,18-,21-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 412.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 18555718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).