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

C18H29N3O3S — CID 50967408

IUPACN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCN(C)C)Cc2ccc(C)s2)CC1=O
InChIInChI=1S/C18H29N3O3S/c1-14-5-6-16(25-14)13-21(8-7-19(2)3)18(23)15-11-17(22)20(12-15)9-10-24-4/h5-6,15H,7-13H2,1-4H3
InChIKeyUFUQJVPEMYFIJU-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.44
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50967408) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50967408
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCN(C)C)Cc2ccc(C)s2)CC1=O
InChIInChI=1S/C18H29N3O3S/c1-14-5-6-16(25-14)13-21(8-7-19(2)3)18(23)15-11-17(22)20(12-15)9-10-24-4/h5-6,15H,7-13H2,1-4H3
InChIKeyUFUQJVPEMYFIJU-UHFFFAOYSA-N
XLogP1.44
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 47227353
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53502239
1-[2-[Methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]pyrrolidin-2-one
CID 72142297
2-(2-Methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370185
(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
2-Ethyl-7-(2-methylpropanoyl)-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118739777
10-Acetyl-2-methyl-7-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118742461
(3aR,6aS)-2-(2-methoxyethyl)-5-[(5-methyl-2-thienyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CID 91915992
1-methyl-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 45812110
N-(2-methoxyethyl)-N-(2-thienylmethyl)pyrrolidine-3-carboxamide
CID 50979531
N-(2-methoxyethyl)-2-pyrrolidin-3-yl-N-(2-thienylmethyl)acetamide
CID 65955118
(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 94662470

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 50967408) is N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(CCN(C)C)Cc2ccc(C)s2)CC1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UFUQJVPEMYFIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-5-6-16(25-14)13-21(8-7-19(2)3)18(23)15-11-17(22)20(12-15)9-10-24-4/h5-6,15H,7-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).