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

C19H23N3O3S — CID 3230263

IUPAC1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1
InChIInChI=1S/C19H23N3O3S/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyYTMNUDJJOUAOEL-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.46
Rot. Bonds6

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

1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230263) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230263
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1
InChIInChI=1S/C19H23N3O3S/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyYTMNUDJJOUAOEL-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 655269
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-thiophen-3-yl-acetamide
CID 10247900
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2-thiophen-3-yl-acetamide
CID 10475338
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-pyrrolidin-2-one
CID 12134996

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230263) is 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is YTMNUDJJOUAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).