N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C13H20N2O2S — CID 50979531

IUPACN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)C1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-17-7-6-15(10-12-3-2-8-18-12)13(16)11-4-5-14-9-11/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyCMVKVZRHOCKVLC-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.33
Rot. Bonds6

About N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 50979531) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID50979531
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)C1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-17-7-6-15(10-12-3-2-8-18-12)13(16)11-4-5-14-9-11/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyCMVKVZRHOCKVLC-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
1-(pyrrolidin-1-ylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 2225184
3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-N-(3-((2-thienylmethyl)amino)propyl)-, dihydrochloride
CID 24845410
2,2,5,5-tetramethyl-N-[3-(thiophen-2-ylmethylamino)propyl]pyrrolidine-3-carboxamide
CID 24845411
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956799
N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 46943866
1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 47227353
3-methyl-1-(3-methylthiophene-2-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 49795206
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methyl-2-thienyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50967408

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 50979531) is N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is COCCN(Cc1cccs1)C(=O)C1CCNC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is CMVKVZRHOCKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-7-6-15(10-12-3-2-8-18-12)13(16)11-4-5-14-9-11/h2-3,8,11,14H,4-7,9-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 50979531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).