2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide

C19H22N2O3S — CID 166321674

IUPAC2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(C(=O)c3ccsc3C)C2)c1
InChIInChI=1S/C19H22N2O3S/c1-13-17(7-9-25-13)19(23)21-8-6-15(12-21)20-18(22)11-14-4-3-5-16(10-14)24-2/h3-5,7,9-10,15H,6,8,11-12H2,1-2H3,(H,20,22)
InChIKeyVKOBVDFWJDRLIL-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.64
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide

2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 166321674) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID166321674
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(C(=O)c3ccsc3C)C2)c1
InChIInChI=1S/C19H22N2O3S/c1-13-17(7-9-25-13)19(23)21-8-6-15(12-21)20-18(22)11-14-4-3-5-16(10-14)24-2/h3-5,7,9-10,15H,6,8,11-12H2,1-2H3,(H,20,22)
InChIKeyVKOBVDFWJDRLIL-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 166321674) is 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide is COc1cccc(CC(=O)NC2CCN(C(=O)c3ccsc3C)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is VKOBVDFWJDRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-17(7-9-25-13)19(23)21-8-6-15(12-21)20-18(22)11-14-4-3-5-16(10-14)24-2/h3-5,7,9-10,15H,6,8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide?
2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166321674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).