(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H20N2O4S — CID 2541970

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-12-7-8-15(24-2)13(11-12)19-17(21)14-5-3-9-20(14)18(22)16-6-4-10-25-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyREHGFFUOVMHVFG-AWEZNQCLSA-N
MW360.44 g/mol
LogP3.01
Rot. Bonds5

About (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2541970) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2541970
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-12-7-8-15(24-2)13(11-12)19-17(21)14-5-3-9-20(14)18(22)16-6-4-10-25-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyREHGFFUOVMHVFG-AWEZNQCLSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2541970) is (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is REHGFFUOVMHVFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-12-7-8-15(24-2)13(11-12)19-17(21)14-5-3-9-20(14)18(22)16-6-4-10-25-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2541970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).