(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide

C18H22N2O4S2 — CID 10250045

IUPAC(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)/t16-/m1/s1
InChIKeyHMJAUNHXYJKDGD-MRXNPFEDSA-N
MW394.52 g/mol
LogP3.09
Rot. Bonds6

About (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide

(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10250045) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10250045
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)/t16-/m1/s1
InChIKeyHMJAUNHXYJKDGD-MRXNPFEDSA-N
XLogP3.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 10250045) is (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HMJAUNHXYJKDGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10250045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).