(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide

C26H38N3O6PS — CID 143606655

IUPAC(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCOP(=O)(CCc1cnc(NC(=O)[C@H](CCC2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1)OCC
InChIInChI=1S/C26H38N3O6PS/c1-4-34-36(31,35-5-2)17-16-22-18-28-25(19-27-22)29-26(30)24(15-10-20-8-6-7-9-20)21-11-13-23(14-12-21)37(3,32)33/h11-14,18-20,24H,4-10,15-17H2,1-3H3,(H,28,29,30)/t24-/m1/s1
InChIKeyLFCDYBDGAMDWCP-XMMPIXPASA-N
MW551.65 g/mol
LogP5.38
Rot. Bonds14

About (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide

(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide (PubChem CID 143606655) has the molecular formula C26H38N3O6PS and a molecular weight of 551.65 g/mol. Its IUPAC name is (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide
PubChem CID143606655
Molecular FormulaC26H38N3O6PS
Molecular Weight551.65 g/mol
Exact Mass551.22
IUPAC Name(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide
SMILESCCOP(=O)(CCc1cnc(NC(=O)[C@H](CCC2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1)OCC
InChIInChI=1S/C26H38N3O6PS/c1-4-34-36(31,35-5-2)17-16-22-18-28-25(19-27-22)29-26(30)24(15-10-20-8-6-7-9-20)21-11-13-23(14-12-21)37(3,32)33/h11-14,18-20,24H,4-10,15-17H2,1-3H3,(H,28,29,30)/t24-/m1/s1
InChIKeyLFCDYBDGAMDWCP-XMMPIXPASA-N
XLogP5.38
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-cyclopentyl-N-[5-(diethoxyphosphorylmethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 143606774
(3R)-4-cyclopentyl-1-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-3-(4-methylsulfonylphenyl)butan-2-one
CID 58265893
(2R)-3-cyclopentyl-N-[4-(2-diethoxyphosphorylethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 59649373
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
3-cyclopentyl-N-[5-(1-hydroxy-2-iminoethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87417676
(3R)-4-cyclopent-3-en-1-yl-1-[5-(diethoxyphosphorylmethyl)pyrazin-2-yl]-3-(4-methylsulfonylphenyl)butan-2-one;methane
CID 161032181
4-[[2-[[(2R)-4-cyclopentyl-2-(4-methylsulfonylphenyl)butanoyl]amino]-1,3-thiazol-5-yl]oxy]phthalic acid
CID 143606177
(3R)-4-cyclopentyl-1-[5-(diethoxyphosphorylmethylsulfonyl)-1,3-thiazol-2-yl]-3-(4-methylsulfonylphenyl)butan-2-one
CID 58266126
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(methylsulfonylmethyl)pyrazin-2-yl]propanamide
CID 10051679
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-[(2Z)-2-hydroxyiminoethyl]pyrazin-2-yl]propanamide
CID 87417750
(2R)-3-cyclopentyl-N-[4-[diethoxyphosphoryl(hydroxy)methyl]-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide;methane
CID 158673453
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]propanamide
CID 71169865

Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide (CID 143606655) is (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide is CCOP(=O)(CCc1cnc(NC(=O)[C@H](CCC2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1)OCC.
What is the InChIKey of (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide?
The InChIKey is LFCDYBDGAMDWCP-XMMPIXPASA-N. The full InChI is InChI=1S/C26H38N3O6PS/c1-4-34-36(31,35-5-2)17-16-22-18-28-25(19-27-22)29-26(30)24(15-10-20-8-6-7-9-20)21-11-13-23(14-12-21)37(3,32)33/h11-14,18-20,24H,4-10,15-17H2,1-3H3,(H,28,29,30)/t24-/m1/s1.
What are the key properties of (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide?
(2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide has a molecular weight of 551.65 g/mol, XLogP of 5.38, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyclopentyl-N-[5-(2-diethoxyphosphorylethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 143606655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).