N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide

C22H23N3O3S — CID 42272406

IUPACN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-25(2)19-10-6-8-17(14-19)22(26)24-16-21(18-9-7-13-23-15-18)29(27,28)20-11-4-3-5-12-20/h3-15,21H,16H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMWFPYFWCOKRVGS-NRFANRHFSA-N
MW409.51 g/mol
LogP3.09
Rot. Bonds7

About N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide (PubChem CID 42272406) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
PubChem CID42272406
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-25(2)19-10-6-8-17(14-19)22(26)24-16-21(18-9-7-13-23-15-18)29(27,28)20-11-4-3-5-12-20/h3-15,21H,16H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMWFPYFWCOKRVGS-NRFANRHFSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
CID 9159372
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide (CID 42272406) is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide?
The InChIKey is MWFPYFWCOKRVGS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-25(2)19-10-6-8-17(14-19)22(26)24-16-21(18-9-7-13-23-15-18)29(27,28)20-11-4-3-5-12-20/h3-15,21H,16H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide?
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 42272406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).