3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide

C23H29N5O3S — CID 118470041

IUPAC3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3cc(C)no3)c2)c1
InChIInChI=1S/C23H29N5O3S/c1-4-28-9-5-6-18(28)14-26-32(29,30)19-8-7-15(2)20(12-19)17-11-21(23(24)25-13-17)22-10-16(3)27-31-22/h7-8,10-13,18,26H,4-6,9,14H2,1-3H3,(H2,24,25)/t18-/m1/s1
InChIKeyAHSKYQFCDLZLFK-GOSISDBHSA-N
MW455.58 g/mol
LogP3.37
Rot. Bonds7

About 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 118470041) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID118470041
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3cc(C)no3)c2)c1
InChIInChI=1S/C23H29N5O3S/c1-4-28-9-5-6-18(28)14-26-32(29,30)19-8-7-15(2)20(12-19)17-11-21(23(24)25-13-17)22-10-16(3)27-31-22/h7-8,10-13,18,26H,4-6,9,14H2,1-3H3,(H2,24,25)/t18-/m1/s1
InChIKeyAHSKYQFCDLZLFK-GOSISDBHSA-N
XLogP3.37
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (CID 118470041) is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3cc(C)no3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is AHSKYQFCDLZLFK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-4-28-9-5-6-18(28)14-26-32(29,30)19-8-7-15(2)20(12-19)17-11-21(23(24)25-13-17)22-10-16(3)27-31-22/h7-8,10-13,18,26H,4-6,9,14H2,1-3H3,(H2,24,25)/t18-/m1/s1.
What are the key properties of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).