N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

C18H22N2O3S — CID 17415661

IUPACN-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCC2c2cccs2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-22-13-7-8-14(16(11-13)23-2)19-18(21)12-20-9-3-5-15(20)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyANMLZBASFPDWBZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.54
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 17415661) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
PubChem CID17415661
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCC2c2cccs2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-22-13-7-8-14(16(11-13)23-2)19-18(21)12-20-9-3-5-15(20)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyANMLZBASFPDWBZ-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446731
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714
N-(2,4-dimethoxyphenyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128994
N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
CID 17455731
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
N-(4-methoxy-2-nitrophenyl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 55521053
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
dimethyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 9446511
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (CID 17415661) is N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCCC2c2cccs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is ANMLZBASFPDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-13-7-8-14(16(11-13)23-2)19-18(21)12-20-9-3-5-15(20)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 17415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).