(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide

C24H32N2O6S — CID 86671911

IUPAC(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(CCc2ccccc2)cc1=O)(C(=O)NOC1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C24H32N2O6S/c1-24(33(2,29)30,23(28)25-32-22-10-6-7-17-31-22)14-16-26-15-13-20(18-21(26)27)12-11-19-8-4-3-5-9-19/h3-5,8-9,13,15,18,22H,6-7,10-12,14,16-17H2,1-2H3,(H,25,28)/t22?,24-/m1/s1
InChIKeyANVTZQLAMHEQSM-SYIFMXBLSA-N
MW476.60 g/mol
LogP2.40
Rot. Bonds10

About (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide

(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide (PubChem CID 86671911) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
PubChem CID86671911
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(CCc2ccccc2)cc1=O)(C(=O)NOC1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C24H32N2O6S/c1-24(33(2,29)30,23(28)25-32-22-10-6-7-17-31-22)14-16-26-15-13-20(18-21(26)27)12-11-19-8-4-3-5-9-19/h3-5,8-9,13,15,18,22H,6-7,10-12,14,16-17H2,1-2H3,(H,25,28)/t22?,24-/m1/s1
InChIKeyANVTZQLAMHEQSM-SYIFMXBLSA-N
XLogP2.40
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
The IUPAC name of (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide (CID 86671911) is (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide.
What is the SMILES notation for (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
The canonical SMILES for (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide is C[C@@](CCn1ccc(CCc2ccccc2)cc1=O)(C(=O)NOC1CCCCO1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
The InChIKey is ANVTZQLAMHEQSM-SYIFMXBLSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-24(33(2,29)30,23(28)25-32-22-10-6-7-17-31-22)14-16-26-15-13-20(18-21(26)27)12-11-19-8-4-3-5-9-19/h3-5,8-9,13,15,18,22H,6-7,10-12,14,16-17H2,1-2H3,(H,25,28)/t22?,24-/m1/s1.
What are the key properties of (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
(2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide has a molecular weight of 476.60 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 86671911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).