(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C18H21N3O3S — CID 1433469

IUPAC(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2cccs2)c1
InChIInChI=1S/C18H21N3O3S/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyMGXDXKPTDWJXHR-MRXNPFEDSA-N
MW359.45 g/mol
LogP3.07
Rot. Bonds5

About (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1433469) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1433469
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2cccs2)c1
InChIInChI=1S/C18H21N3O3S/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyMGXDXKPTDWJXHR-MRXNPFEDSA-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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Related Compounds

(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468558
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420601
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 1433469) is (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2cccs2)c1.
What is the InChIKey of (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MGXDXKPTDWJXHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(3-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 (2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1433469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).