N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C17H24N2O4S — CID 1208615

IUPACN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O4S/c1-23-15-5-3-4-14(10-15)19(24(2,21)22)11-17(20)18-16-9-12-6-7-13(16)8-12/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,18,20)/t12-,13+,16-/m1/s1
InChIKeyUFGFZDXIYRTRNQ-DVOMOZLQSA-N
MW352.46 g/mol
LogP1.77
Rot. Bonds6

About N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1208615) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1208615
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O4S/c1-23-15-5-3-4-14(10-15)19(24(2,21)22)11-17(20)18-16-9-12-6-7-13(16)8-12/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,18,20)/t12-,13+,16-/m1/s1
InChIKeyUFGFZDXIYRTRNQ-DVOMOZLQSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide with MolForge

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2897054
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98124066
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 98123181
2-(3-acetyl-N-methylsulfonylanilino)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 1243640
N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2950205
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 7031515
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
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 6974321
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 98230781
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 27209460

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 1208615) is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(C)(=O)=O)c1.
What is the InChIKey of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is UFGFZDXIYRTRNQ-DVOMOZLQSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-15-5-3-4-14(10-15)19(24(2,21)22)11-17(20)18-16-9-12-6-7-13(16)8-12/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,18,20)/t12-,13+,16-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1208615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).