2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide

C18H22N2O2S — CID 134802476

IUPAC2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(-c3ccsc3)cc2)C1
InChIInChI=1S/C18H22N2O2S/c1-22-12-18(21)19-17-6-8-20(11-17)10-14-2-4-15(5-3-14)16-7-9-23-13-16/h2-5,7,9,13,17H,6,8,10-12H2,1H3,(H,19,21)
InChIKeyZNSMACVYDYVGCA-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.75
Rot. Bonds6

About 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide

2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 134802476) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID134802476
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(-c3ccsc3)cc2)C1
InChIInChI=1S/C18H22N2O2S/c1-22-12-18(21)19-17-6-8-20(11-17)10-14-2-4-15(5-3-14)16-7-9-23-13-16/h2-5,7,9,13,17H,6,8,10-12H2,1H3,(H,19,21)
InChIKeyZNSMACVYDYVGCA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]-N-[(4-methylphenyl)methyl]butanamide
CID 162672712
N1-(2-(4-fluorophenyl)-2-morpholinoethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18589272
N-[phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 45845812
2-(cyclopropylmethoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 45893847
N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
CID 56793655
N-[(3S*,4R*)-4-(4-methylphenyl)-1-(3-thienylcarbonyl)-3-pyrrolidinyl]cyclopropanecarboxamide
CID 70732368
5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175
N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134798481
methyl N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 134801728
N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134802229
1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methoxyethylamino)ethanone
CID 4263520
(3R)-N-[2-oxo-2-[[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 177693339

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide (CID 134802476) is 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide is COCC(=O)NC1CCN(Cc2ccc(-c3ccsc3)cc2)C1.
What is the InChIKey of 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZNSMACVYDYVGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-12-18(21)19-17-6-8-20(11-17)10-14-2-4-15(5-3-14)16-7-9-23-13-16/h2-5,7,9,13,17H,6,8,10-12H2,1H3,(H,19,21).
What are the key properties of 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide?
2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(4-thiophen-3-ylphenyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 134802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).