2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide

C20H27N3O3S — CID 46071294

IUPAC2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCCc3ccccn3)CON2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)16-7-9-17(10-8-16)20-19(14-26-23(20)3)27(24,25)22-13-11-18-6-4-5-12-21-18/h4-10,12,15,19-20,22H,11,13-14H2,1-3H3
InChIKeyCVECXIFNDNOWNG-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.65
Rot. Bonds7

About 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide

2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071294) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071294
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCCc3ccccn3)CON2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)16-7-9-17(10-8-16)20-19(14-26-23(20)3)27(24,25)22-13-11-18-6-4-5-12-21-18/h4-10,12,15,19-20,22H,11,13-14H2,1-3H3
InChIKeyCVECXIFNDNOWNG-UHFFFAOYSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide (CID 46071294) is 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide is CC(C)c1ccc(C2C(S(=O)(=O)NCCc3ccccn3)CON2C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is CVECXIFNDNOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)16-7-9-17(10-8-16)20-19(14-26-23(20)3)27(24,25)22-13-11-18-6-4-5-12-21-18/h4-10,12,15,19-20,22H,11,13-14H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).