N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide

C14H22N2O2S — CID 99960024

IUPACN-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCOCCN(Cc1ccsc1)C(=O)C[C@@H]1CCNC1
InChIInChI=1S/C14H22N2O2S/c1-18-6-5-16(10-13-3-7-19-11-13)14(17)8-12-2-4-15-9-12/h3,7,11-12,15H,2,4-6,8-10H2,1H3/t12-/m0/s1
InChIKeyXYLBXHSLAFCDKM-LBPRGKRZSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide

N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 99960024) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID99960024
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCOCCN(Cc1ccsc1)C(=O)C[C@@H]1CCNC1
InChIInChI=1S/C14H22N2O2S/c1-18-6-5-16(10-13-3-7-19-11-13)14(17)8-12-2-4-15-9-12/h3,7,11-12,15H,2,4-6,8-10H2,1H3/t12-/m0/s1
InChIKeyXYLBXHSLAFCDKM-LBPRGKRZSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125441868
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172913238
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154910283
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
N-(2-methoxyethyl)-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 72926513
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 126451018
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-(2-methoxyethyl)-N-propan-2-yl-2-pyrrolidin-3-ylacetamide
CID 82949070
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 99960024) is N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide is COCCN(Cc1ccsc1)C(=O)C[C@@H]1CCNC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XYLBXHSLAFCDKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-18-6-5-16(10-13-3-7-19-11-13)14(17)8-12-2-4-15-9-12/h3,7,11-12,15H,2,4-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 99960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).