N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide

C16H23N3O4S — CID 167876025

IUPACN,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2conc2C(C)C)c1
InChIInChI=1S/C16H23N3O4S/c1-5-19(6-2)24(21,22)14-7-8-15(20)18(10-14)9-13-11-23-17-16(13)12(3)4/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZKSCZDDRRWNGGF-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.04
Rot. Bonds7

About N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide

N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 167876025) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID167876025
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2conc2C(C)C)c1
InChIInChI=1S/C16H23N3O4S/c1-5-19(6-2)24(21,22)14-7-8-15(20)18(10-14)9-13-11-23-17-16(13)12(3)4/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZKSCZDDRRWNGGF-UHFFFAOYSA-N
XLogP2.04
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide (CID 167876025) is N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2conc2C(C)C)c1.
What is the InChIKey of N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZKSCZDDRRWNGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-5-19(6-2)24(21,22)14-7-8-15(20)18(10-14)9-13-11-23-17-16(13)12(3)4/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 167876025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).