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

C20H27N3O3S — CID 93000491

IUPAC(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc([C@H]2[C@H](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/t19-,20+/m1/s1
InChIKeyCVECXIFNDNOWNG-UXHICEINSA-N
MW389.52 g/mol
LogP2.65
Rot. Bonds7

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

(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 93000491) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID93000491
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc([C@H]2[C@H](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/t19-,20+/m1/s1
InChIKeyCVECXIFNDNOWNG-UXHICEINSA-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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Related Compounds

2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071294
(3S,4R)-N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000509
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
4-propan-2-yl-3-(2-pyridin-2-ylethylsulfamoyl)benzenesulfinic acid
CID 57497797
9-fluoro-3-propan-2-yl-N-(2-pyridin-2-ylethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 91102106
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide (CID 93000491) is (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide is CC(C)c1ccc([C@H]2[C@H](S(=O)(=O)NCCc3ccccn3)CON2C)cc1.
What is the InChIKey of (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is CVECXIFNDNOWNG-UXHICEINSA-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/t19-,20+/m1/s1.
What are the key properties of (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide?
(3S,4S)-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 (3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93000491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).