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

C17H24N2O3S — CID 131841924

IUPACN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCC(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-PKCZQHQBSA-N
MW336.46 g/mol
LogP2.15
Rot. Bonds5

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

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 131841924) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID131841924
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCC(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-PKCZQHQBSA-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

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

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Related Compounds

(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 11898286
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 7333372
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 124721533
(2S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 7030050
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2977082
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3143443
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1311473
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148776
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148777
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 98238475
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide (CID 131841924) is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide is CC(C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is NJJBGWKOEOFNEY-PKCZQHQBSA-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 N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide?
N-[(1S,2S,4R)-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 N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 131841924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).