6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one

C31H34N2O4S — CID 155052626

IUPAC6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)c2ccc(-c3ccccc3COC)cc2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C31H34N2O4S/c1-4-6-16-27-28(33(5-2)24-13-8-7-9-14-24)29(34)30(31(35)32-27)38(36)25-19-17-22(18-20-25)26-15-11-10-12-23(26)21-37-3/h7-15,17-20H,4-6,16,21H2,1-3H3,(H2,32,34,35)
InChIKeyRIZUPSYUZAXTOI-UHFFFAOYSA-N
MW530.69 g/mol
LogP6.56
Rot. Bonds11

About 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one

6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one (PubChem CID 155052626) has the molecular formula C31H34N2O4S and a molecular weight of 530.69 g/mol. Its IUPAC name is 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one
PubChem CID155052626
Molecular FormulaC31H34N2O4S
Molecular Weight530.69 g/mol
Exact Mass530.22
IUPAC Name6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)c2ccc(-c3ccccc3COC)cc2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C31H34N2O4S/c1-4-6-16-27-28(33(5-2)24-13-8-7-9-14-24)29(34)30(31(35)32-27)38(36)25-19-17-22(18-20-25)26-15-11-10-12-23(26)21-37-3/h7-15,17-20H,4-6,16,21H2,1-3H3,(H2,32,34,35)
InChIKeyRIZUPSYUZAXTOI-UHFFFAOYSA-N
XLogP6.56
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.69
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one with MolForge

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Related Compounds

2-[4-[[6-butyl-5-(N-ethylanilino)-4-hydroxy-2-oxo-1H-pyridin-3-yl]sulfanyl]phenyl]benzaldehyde
CID 155052467
6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one
CID 139576720
6-butyl-5-(N-ethyl-3,5-dimethylanilino)-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-1H-pyridin-2-one
CID 139557832
6-butyl-5-(N,2-dimethylanilino)-4-hydroxy-3-[4-(2-methyl-3-pyridinyl)phenyl]sulfonyl-1H-pyridin-2-one
CID 139557887
6-butyl-3-[4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]sulfonyl-4-hydroxy-5-(3-methoxy-N-methylanilino)-1H-pyridin-2-one
CID 139557817
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
6-butyl-5-(3-chloro-N-methylanilino)-3-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]sulfonyl-4-hydroxy-1H-pyridin-2-one
CID 139576630
2-[4-[[6-butyl-5-(3-cyano-N-methylanilino)-4-hydroxy-2-oxo-1H-pyridin-3-yl]sulfanyl]phenyl]-N,N-dimethylbenzamide
CID 155052631
6-butyl-5-(N,3-dimethylanilino)-3-[4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]sulfanyl-4-hydroxy-1H-pyridin-2-one
CID 155052465
6-butyl-3-[4-(5-chloro-2H-pyridin-1-yl)phenyl]sulfonyl-4-hydroxy-5-(N-methylanilino)-1H-pyridin-2-one
CID 174964048
3-[[2-butyl-5-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]sulfonyl-4-hydroxy-6-oxo-1H-pyridin-3-yl]-methylamino]benzonitrile
CID 139576902
6-butyl-3-[4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]sulfanyl-4-hydroxy-5-(4-methoxy-N-methylanilino)-1H-pyridin-2-one
CID 155052542

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one?
The IUPAC name of 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one (CID 155052626) is 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(S(=O)c2ccc(-c3ccccc3COC)cc2)c(O)c1N(CC)c1ccccc1.
What is the InChIKey of 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one?
The InChIKey is RIZUPSYUZAXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4S/c1-4-6-16-27-28(33(5-2)24-13-8-7-9-14-24)29(34)30(31(35)32-27)38(36)25-19-17-22(18-20-25)26-15-11-10-12-23(26)21-37-3/h7-15,17-20H,4-6,16,21H2,1-3H3,(H2,32,34,35).
What are the key properties of 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one?
6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one has a molecular weight of 530.69 g/mol, XLogP of 6.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[4-[2-(methoxymethyl)phenyl]phenyl]sulfinyl-1H-pyridin-2-one is sourced from PubChem (CID 155052626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).