N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide

C22H23N3O3S — CID 9157955

IUPACN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16(2)17-7-9-20(10-8-17)29(27,28)21(18-5-3-11-23-13-18)15-25-22(26)19-6-4-12-24-14-19/h3-14,16,21H,15H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyLABJZBZGBVBSEX-OAQYLSRUSA-N
MW409.51 g/mol
LogP3.55
Rot. Bonds7

About N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide

N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide (PubChem CID 9157955) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
PubChem CID9157955
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16(2)17-7-9-20(10-8-17)29(27,28)21(18-5-3-11-23-13-18)15-25-22(26)19-6-4-12-24-14-19/h3-14,16,21H,15H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyLABJZBZGBVBSEX-OAQYLSRUSA-N
XLogP3.55
TPSA89.02 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 ≤ 53.55
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-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157905
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9157756
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
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-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide (CID 9157955) is N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide is CC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?
The InChIKey is LABJZBZGBVBSEX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16(2)17-7-9-20(10-8-17)29(27,28)21(18-5-3-11-23-13-18)15-25-22(26)19-6-4-12-24-14-19/h3-14,16,21H,15H2,1-2H3,(H,25,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 9157955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).