(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H17ClN2O3S — CID 2566424

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H17ClN2O3S/c1-23-14-7-6-11(18)10-12(14)19-16(21)13-4-2-8-20(13)17(22)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyLOFSLKOQNFXTHC-ZDUSSCGKSA-N
MW364.85 g/mol
LogP3.65
Rot. Bonds4

About (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2566424) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2566424
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H17ClN2O3S/c1-23-14-7-6-11(18)10-12(14)19-16(21)13-4-2-8-20(13)17(22)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyLOFSLKOQNFXTHC-ZDUSSCGKSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2566424) is (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LOFSLKOQNFXTHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-23-14-7-6-11(18)10-12(14)19-16(21)13-4-2-8-20(13)17(22)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2566424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).