2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide

C18H22N2O3S — CID 118765356

IUPAC2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1c(C)cnc(CN(C)C(=O)Cc2csc(C(C)=O)c2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-8-19-15(12(2)18(11)23-5)9-20(4)17(22)7-14-6-16(13(3)21)24-10-14/h6,8,10H,7,9H2,1-5H3
InChIKeyABXPWGDTPUZPGA-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.17
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide

2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide (PubChem CID 118765356) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide
PubChem CID118765356
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1c(C)cnc(CN(C)C(=O)Cc2csc(C(C)=O)c2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-8-19-15(12(2)18(11)23-5)9-20(4)17(22)7-14-6-16(13(3)21)24-10-14/h6,8,10H,7,9H2,1-5H3
InChIKeyABXPWGDTPUZPGA-UHFFFAOYSA-N
XLogP3.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51128965
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
CID 47086432
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 51100025
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 146085594
2-(5-acetylthiophen-3-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylacetamide;formic acid
CID 154913459
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2R)-oxolan-2-yl]propanamide
CID 94820014
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 94839941
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide (CID 118765356) is 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide is COc1c(C)cnc(CN(C)C(=O)Cc2csc(C(C)=O)c2)c1C.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is ABXPWGDTPUZPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-8-19-15(12(2)18(11)23-5)9-20(4)17(22)7-14-6-16(13(3)21)24-10-14/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide?
2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 346.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 118765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).