N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide

C18H26N2O3S — CID 6974295

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O
InChIInChI=1S/C18H26N2O3S/c1-3-14-6-4-5-7-17(14)20(24(2,22)23)12-18(21)19-16-11-13-8-9-15(16)10-13/h4-7,13,15-16H,3,8-12H2,1-2H3,(H,19,21)/t13-,15-,16-/m1/s1
InChIKeyOGFUZUZLPSXHCL-FVQBIDKESA-N
MW350.48 g/mol
LogP2.32
Rot. Bonds6

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 6974295) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID6974295
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O
InChIInChI=1S/C18H26N2O3S/c1-3-14-6-4-5-7-17(14)20(24(2,22)23)12-18(21)19-16-11-13-8-9-15(16)10-13/h4-7,13,15-16H,3,8-12H2,1-2H3,(H,19,21)/t13-,15-,16-/m1/s1
InChIKeyOGFUZUZLPSXHCL-FVQBIDKESA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2892492
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 154808130
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 22193763
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 124775916
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 98416542
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1208576
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031807
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1338404
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 124834503
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 154808462
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 124833793

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide (CID 6974295) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is OGFUZUZLPSXHCL-FVQBIDKESA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-14-6-4-5-7-17(14)20(24(2,22)23)12-18(21)19-16-11-13-8-9-15(16)10-13/h4-7,13,15-16H,3,8-12H2,1-2H3,(H,19,21)/t13-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 350.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 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]-2-(2-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 6974295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).