ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide

C27H44N2O6S — CID 167458990

IUPACethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide
SMILESCC.CC.CCCC(OC)ONC(=O)C(C)(CCn1ccc(-c2ccc(OC)cc2)cc1=O)S(C)=O
InChIInChI=1S/C23H32N2O6S.2C2H6/c1-6-7-21(30-4)31-24-22(27)23(2,32(5)28)13-15-25-14-12-18(16-20(25)26)17-8-10-19(29-3)11-9-17;2*1-2/h8-12,14,16,21H,6-7,13,15H2,1-5H3,(H,24,27);2*1-2H3
InChIKeyUUFCFFPVXKEVOG-UHFFFAOYSA-N
MW524.72 g/mol
LogP4.92
Rot. Bonds12

About ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide

ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide (PubChem CID 167458990) has the molecular formula C27H44N2O6S and a molecular weight of 524.72 g/mol. Its IUPAC name is ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide.

Molecular Properties

Compound Nameethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide
PubChem CID167458990
Molecular FormulaC27H44N2O6S
Molecular Weight524.72 g/mol
Exact Mass524.29
IUPAC Nameethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide
SMILESCC.CC.CCCC(OC)ONC(=O)C(C)(CCn1ccc(-c2ccc(OC)cc2)cc1=O)S(C)=O
InChIInChI=1S/C23H32N2O6S.2C2H6/c1-6-7-21(30-4)31-24-22(27)23(2,32(5)28)13-15-25-14-12-18(16-20(25)26)17-8-10-19(29-3)11-9-17;2*1-2/h8-12,14,16,21H,6-7,13,15H2,1-5H3,(H,24,27);2*1-2H3
InChIKeyUUFCFFPVXKEVOG-UHFFFAOYSA-N
XLogP4.92
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.72
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640897
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116437
tert-butyl 2-[2-[2-[4-(4-ethoxyphenyl)-2-oxo-1-pyridinyl]ethoxy]ethoxy]acetate
CID 135278158
N-hydroxy-4-[4-[6-(3-hydroxypropoxy)naphthalen-2-yl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116058
4-[6-(6-ethoxy-3-pyridinyl)-4-fluoro-1-oxoisoquinolin-2-yl]-N-hydroxy-2-methyl-2-methylsulfinylbutanamide
CID 129239536
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-(2-pyridin-2-ylethoxy)phenyl]-1-pyridinyl]butanamide
CID 90116360
(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116103
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide?
The IUPAC name of ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide (CID 167458990) is ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide.
What is the SMILES notation for ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide?
The canonical SMILES for ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide is CC.CC.CCCC(OC)ONC(=O)C(C)(CCn1ccc(-c2ccc(OC)cc2)cc1=O)S(C)=O.
What is the InChIKey of ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide?
The InChIKey is UUFCFFPVXKEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S.2C2H6/c1-6-7-21(30-4)31-24-22(27)23(2,32(5)28)13-15-25-14-12-18(16-20(25)26)17-8-10-19(29-3)11-9-17;2*1-2/h8-12,14,16,21H,6-7,13,15H2,1-5H3,(H,24,27);2*1-2H3.
What are the key properties of ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide?
ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide has a molecular weight of 524.72 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methoxybutoxy)-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfinylbutanamide is sourced from PubChem (CID 167458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).