N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C18H22N2O2S — CID 9446683

IUPACN-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC[C@@H]2c2cccs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-8-6-14(7-9-15)12-19-18(21)13-20-10-2-4-16(20)17-5-3-11-23-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeySMHZUJGMTBWHEE-MRXNPFEDSA-N
MW330.45 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 9446683) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID9446683
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC[C@@H]2c2cccs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-8-6-14(7-9-15)12-19-18(21)13-20-10-2-4-16(20)17-5-3-11-23-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeySMHZUJGMTBWHEE-MRXNPFEDSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8709609
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17415661
N-(2,4-dimethoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446731
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 9446683) is N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is COc1ccc(CNC(=O)CN2CCC[C@@H]2c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is SMHZUJGMTBWHEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-15-8-6-14(7-9-15)12-19-18(21)13-20-10-2-4-16(20)17-5-3-11-23-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 9446683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).