6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one

C20H26ClNOS — CID 169249888

IUPAC6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(SC(C)C)c(C)[nH]1
InChIInChI=1S/C20H26ClNOS/c1-11(2)24-19-13(4)22-17(10-18(19)23)14-9-16(21)15(8-12(14)3)20(5,6)7/h8-11H,1-7H3,(H,22,23)
InChIKeyMITQIPGGVPOLKE-UHFFFAOYSA-N
MW363.95 g/mol
LogP6.11
Rot. Bonds3

About 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one

6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one (PubChem CID 169249888) has the molecular formula C20H26ClNOS and a molecular weight of 363.95 g/mol. Its IUPAC name is 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
PubChem CID169249888
Molecular FormulaC20H26ClNOS
Molecular Weight363.95 g/mol
Exact Mass363.14
IUPAC Name6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(SC(C)C)c(C)[nH]1
InChIInChI=1S/C20H26ClNOS/c1-11(2)24-19-13(4)22-17(10-18(19)23)14-9-16(21)15(8-12(14)3)20(5,6)7/h8-11H,1-7H3,(H,22,23)
InChIKeyMITQIPGGVPOLKE-UHFFFAOYSA-N
XLogP6.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.95
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
CID 170306807
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-pyridin-4-yl-1H-pyridin-4-one
CID 169250188
N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide
CID 169250150
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(2-methyltetrazol-5-yl)-1H-pyridin-4-one
CID 169250139
5-[6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridin-3-yl]-1H-pyrimidine-2,4-dione
CID 169250224
2-(4-tert-butyl-5-chloro-2-methylphenyl)-8-methyl-1H-1,6-naphthyridin-4-one
CID 169256185
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1,6-dihydropyrido[2,3-d]pyridazine-4,5-dione
CID 169257050
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
CID 169256145
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-hydroxy-1H-1,7-naphthyridin-4-one
CID 169257010
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-thieno[3,4-b]pyridine-5-carboxamide
CID 177312069
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-[(2S)-2,3-dihydroxypropoxy]-1H-1,6-naphthyridin-4-one
CID 177312061
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one?
The IUPAC name of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one (CID 169249888) is 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one.
What is the SMILES notation for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one?
The canonical SMILES for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one is Cc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(SC(C)C)c(C)[nH]1.
What is the InChIKey of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one?
The InChIKey is MITQIPGGVPOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNOS/c1-11(2)24-19-13(4)22-17(10-18(19)23)14-9-16(21)15(8-12(14)3)20(5,6)7/h8-11H,1-7H3,(H,22,23).
What are the key properties of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one?
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one has a molecular weight of 363.95 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one is sourced from PubChem (CID 169249888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).