N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide

C20H25N3O3S — CID 17455731

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-17(26-2)15(11-14)22-19(24)12-21-20(25)13-23-9-3-5-16(23)18-6-4-10-27-18/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySNNHVYJPLPBVGX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.96
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide (PubChem CID 17455731) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
PubChem CID17455731
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-17(26-2)15(11-14)22-19(24)12-21-20(25)13-23-9-3-5-16(23)18-6-4-10-27-18/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySNNHVYJPLPBVGX-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
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
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
N-(3-chloro-2-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
CID 18197577
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
dimethyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 9446511
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide (CID 17455731) is N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCCC1c1cccs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide?
The InChIKey is SNNHVYJPLPBVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-7-8-17(26-2)15(11-14)22-19(24)12-21-20(25)13-23-9-3-5-16(23)18-6-4-10-27-18/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 17455731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).