N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C18H22N2OS — CID 9446407

IUPACN-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13-6-3-7-14(2)18(13)19-17(21)12-20-10-4-8-15(20)16-9-5-11-22-16/h3,5-7,9,11,15H,4,8,10,12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyYHIARSCAGJSPMJ-OAHLLOKOSA-N
MW314.45 g/mol
LogP4.14
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 9446407) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID9446407
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13-6-3-7-14(2)18(13)19-17(21)12-20-10-4-8-15(20)16-9-5-11-22-16/h3,5-7,9,11,15H,4,8,10,12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyYHIARSCAGJSPMJ-OAHLLOKOSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
N-(3-chloro-2-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
CID 18197577
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8539041
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17415661

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 9446407) is N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1cccs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is YHIARSCAGJSPMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-6-3-7-14(2)18(13)19-17(21)12-20-10-4-8-15(20)16-9-5-11-22-16/h3,5-7,9,11,15H,4,8,10,12H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 314.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 9446407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).