1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C14H20N2O3S — CID 47227353

IUPAC1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(C)s2)CC1=O
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(20-10)8-15-14(18)11-7-13(17)16(9-11)5-6-19-2/h3-4,11H,5-9H2,1-2H3,(H,15,18)
InChIKeyQNSAJNOJYIEZKE-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.17
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 47227353) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID47227353
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(C)s2)CC1=O
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(20-10)8-15-14(18)11-7-13(17)16(9-11)5-6-19-2/h3-4,11H,5-9H2,1-2H3,(H,15,18)
InChIKeyQNSAJNOJYIEZKE-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
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-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methyl-2-thienyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50967408
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53502239
(3aR,7aR)-5-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97377630
(1S,11R)-2-[(5-methylthiophen-2-yl)methyl]-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110202338
N-(2-Methoxyethyl)-2-methyl-5-oxo-1-[(thiophen-2-YL)methyl]pyrrolidine-2-carboxamide
CID 46363704
N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 46948458
(3aR,6aS)-2-(2-methoxyethyl)-5-[(5-methyl-2-thienyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CID 91915992
8-[(5-Methylthiophen-2-yl)methyl]-1,4,8-oxadiazecan-5-one
CID 110200986
5-[(5-Methylthiophen-2-YL)methyl]-1,5-diazacycloundecan-2-one
CID 110201401

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 47227353) is 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccc(C)s2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QNSAJNOJYIEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-4-12(20-10)8-15-14(18)11-7-13(17)16(9-11)5-6-19-2/h3-4,11H,5-9H2,1-2H3,(H,15,18).
What are the key properties of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47227353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).