(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide

C18H24N2O4S — CID 93329122

IUPAC(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc([C@@H]2[C@H](S(=O)(=O)NCc3ccco3)CON2C)cc1
InChIInChI=1S/C18H24N2O4S/c1-13(2)14-6-8-15(9-7-14)18-17(12-24-20(18)3)25(21,22)19-11-16-5-4-10-23-16/h4-10,13,17-19H,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyAPYCEQYKQURUTQ-QZTJIDSGSA-N
MW364.47 g/mol
LogP2.81
Rot. Bonds6

About (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide

(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 93329122) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID93329122
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc([C@@H]2[C@H](S(=O)(=O)NCc3ccco3)CON2C)cc1
InChIInChI=1S/C18H24N2O4S/c1-13(2)14-6-8-15(9-7-14)18-17(12-24-20(18)3)25(21,22)19-11-16-5-4-10-23-16/h4-10,13,17-19H,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyAPYCEQYKQURUTQ-QZTJIDSGSA-N
XLogP2.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide with MolForge

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Related Compounds

(3S,4R)-N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000509
3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 42851281
3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46071360
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide
CID 78383708
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
CID 42869523
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide (CID 93329122) is (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide is CC(C)c1ccc([C@@H]2[C@H](S(=O)(=O)NCc3ccco3)CON2C)cc1.
What is the InChIKey of (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is APYCEQYKQURUTQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13(2)14-6-8-15(9-7-14)18-17(12-24-20(18)3)25(21,22)19-11-16-5-4-10-23-16/h4-10,13,17-19H,11-12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93329122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).