2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide

C19H22N2O3S — CID 17474066

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C19H22N2O3S/c1-10-11(2)17(18(20)23)19(21-12(10)3)25-9-15-8-14(13(4)22)6-7-16(15)24-5/h6-8H,9H2,1-5H3,(H2,20,23)
InChIKeyXCJXCZXQCHXVFA-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.61
Rot. Bonds6

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide (PubChem CID 17474066) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
PubChem CID17474066
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C19H22N2O3S/c1-10-11(2)17(18(20)23)19(21-12(10)3)25-9-15-8-14(13(4)22)6-7-16(15)24-5/h6-8H,9H2,1-5H3,(H2,20,23)
InChIKeyXCJXCZXQCHXVFA-UHFFFAOYSA-N
XLogP3.61
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 55021251
1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 2696427
1-[4-methoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 7557457
1-[3-[(2-amino-5-methylphenyl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 79127352
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
1-[4-methoxy-3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
CID 4809940
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
(5-acetyl-2-methoxyphenyl)methyl thiocyanate
CID 2803530
methyl 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetate
CID 2108154
1-[4-methoxy-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanone
CID 2541228
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide (CID 17474066) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide is COc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C(N)=O.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The InChIKey is XCJXCZXQCHXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-10-11(2)17(18(20)23)19(21-12(10)3)25-9-15-8-14(13(4)22)6-7-16(15)24-5/h6-8H,9H2,1-5H3,(H2,20,23).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 17474066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).