1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C20H25N3O4S — CID 75554538

IUPAC1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCCC2C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C20H25N3O4S/c1-13-22-15(12-28-13)6-7-21-19(24)18-5-4-8-23(18)20(25)14-9-16(26-2)11-17(10-14)27-3/h9-12,18H,4-8H2,1-3H3,(H,21,24)
InChIKeyQVJYTQINSQJWOH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.43
Rot. Bonds7

About 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554538) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554538
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCCC2C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C20H25N3O4S/c1-13-22-15(12-28-13)6-7-21-19(24)18-5-4-8-23(18)20(25)14-9-16(26-2)11-17(10-14)27-3/h9-12,18H,4-8H2,1-3H3,(H,21,24)
InChIKeyQVJYTQINSQJWOH-UHFFFAOYSA-N
XLogP2.43
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554538) is 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is COc1cc(OC)cc(C(=O)N2CCCC2C(=O)NCCc2csc(C)n2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QVJYTQINSQJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-22-15(12-28-13)6-7-21-19(24)18-5-4-8-23(18)20(25)14-9-16(26-2)11-17(10-14)27-3/h9-12,18H,4-8H2,1-3H3,(H,21,24).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).