1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C18H21N3O3S — CID 3219706

IUPAC1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1
InChIInChI=1S/C18H21N3O3S/c1-24-16-9-3-2-7-14(16)20-18(23)21-10-4-8-15(21)17(22)19-12-13-6-5-11-25-13/h2-3,5-7,9,11,15H,4,8,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNGQOWQLAMMLVML-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.07
Rot. Bonds5

About 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219706) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219706
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1
InChIInChI=1S/C18H21N3O3S/c1-24-16-9-3-2-7-14(16)20-18(23)21-10-4-8-15(21)17(22)19-12-13-6-5-11-25-13/h2-3,5-7,9,11,15H,4,8,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNGQOWQLAMMLVML-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3219706) is 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1.
What is the InChIKey of 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NGQOWQLAMMLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-16-9-3-2-7-14(16)20-18(23)21-10-4-8-15(21)17(22)19-12-13-6-5-11-25-13/h2-3,5-7,9,11,15H,4,8,10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).