N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide

C20H24N2O5S — CID 9158175

IUPACN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O5S/c1-20(2,3)19(23)22-13-18(14-5-4-8-21-12-14)28(24,25)15-6-7-16-17(11-15)27-10-9-26-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyAYKJZJSNGTUCHM-SFHVURJKSA-N
MW404.49 g/mol
LogP2.53
Rot. Bonds5

About N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide (PubChem CID 9158175) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
PubChem CID9158175
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O5S/c1-20(2,3)19(23)22-13-18(14-5-4-8-21-12-14)28(24,25)15-6-7-16-17(11-15)27-10-9-26-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyAYKJZJSNGTUCHM-SFHVURJKSA-N
XLogP2.53
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-chloro-N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]propanamide
CID 9158209
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9158074
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160245
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 9167865
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
3-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9157472

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide (CID 9158175) is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The InChIKey is AYKJZJSNGTUCHM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-20(2,3)19(23)22-13-18(14-5-4-8-21-12-14)28(24,25)15-6-7-16-17(11-15)27-10-9-26-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide has a molecular weight of 404.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 9158175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).