3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide

C20H25N3O3S — CID 47035125

IUPAC3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
SMILESCOc1ccccc1N(CCC(N)=O)C(=O)CN1CCCC1c1ccsc1
InChIInChI=1S/C20H25N3O3S/c1-26-18-7-3-2-5-17(18)23(11-8-19(21)24)20(25)13-22-10-4-6-16(22)15-9-12-27-14-15/h2-3,5,7,9,12,14,16H,4,6,8,10-11,13H2,1H3,(H2,21,24)
InChIKeyXKLKLLDOIPQDAM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.80
Rot. Bonds8

About 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide

3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide (PubChem CID 47035125) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
PubChem CID47035125
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
SMILESCOc1ccccc1N(CCC(N)=O)C(=O)CN1CCCC1c1ccsc1
InChIInChI=1S/C20H25N3O3S/c1-26-18-7-3-2-5-17(18)23(11-8-19(21)24)20(25)13-22-10-4-6-16(22)15-9-12-27-14-15/h2-3,5,7,9,12,14,16H,4,6,8,10-11,13H2,1H3,(H2,21,24)
InChIKeyXKLKLLDOIPQDAM-UHFFFAOYSA-N
XLogP2.80
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035121
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
3-(N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]-2-methoxyanilino)propanamide
CID 120760513
3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide
CID 27347474
3-(2-methoxy-N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]anilino)propanamide
CID 42922188
3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
CID 41456553
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452171
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The IUPAC name of 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide (CID 47035125) is 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The canonical SMILES for 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide is COc1ccccc1N(CCC(N)=O)C(=O)CN1CCCC1c1ccsc1.
What is the InChIKey of 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The InChIKey is XKLKLLDOIPQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-26-18-7-3-2-5-17(18)23(11-8-19(21)24)20(25)13-22-10-4-6-16(22)15-9-12-27-14-15/h2-3,5,7,9,12,14,16H,4,6,8,10-11,13H2,1H3,(H2,21,24).
What are the key properties of 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide is sourced from PubChem (CID 47035125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).