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

C17H24N2O3S — CID 7333372

IUPAC(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-12(17(20)18-16-11-13-8-9-14(16)10-13)19(23(2,21)22)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)/t12-,13+,14+,16-/m1/s1
InChIKeyNJJBGWKOEOFNEY-ORIJERBGSA-N
MW336.46 g/mol
LogP2.15
Rot. Bonds5

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

(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 7333372) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID7333372
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-12(17(20)18-16-11-13-8-9-14(16)10-13)19(23(2,21)22)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)/t12-,13+,14+,16-/m1/s1
InChIKeyNJJBGWKOEOFNEY-ORIJERBGSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide (CID 7333372) is (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is NJJBGWKOEOFNEY-ORIJERBGSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(17(20)18-16-11-13-8-9-14(16)10-13)19(23(2,21)22)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)/t12-,13+,14+,16-/m1/s1.
What are the key properties of (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 336.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 7333372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).