1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C25H27N3O2S — CID 75554518

IUPAC1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CC(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C25H27N3O2S/c1-18-8-5-6-11-20(18)16-23(29)28-15-7-12-22(28)24(30)26-14-13-21-17-31-25(27-21)19-9-3-2-4-10-19/h2-6,8-11,17,22H,7,12-16H2,1H3,(H,26,30)
InChIKeyUGOPHPYIYKCDOP-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554518) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554518
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CC(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C25H27N3O2S/c1-18-8-5-6-11-20(18)16-23(29)28-15-7-12-22(28)24(30)26-14-13-21-17-31-25(27-21)19-9-3-2-4-10-19/h2-6,8-11,17,22H,7,12-16H2,1H3,(H,26,30)
InChIKeyUGOPHPYIYKCDOP-UHFFFAOYSA-N
XLogP4.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554518) is 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is Cc1ccccc1CC(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UGOPHPYIYKCDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-18-8-5-6-11-20(18)16-23(29)28-15-7-12-22(28)24(30)26-14-13-21-17-31-25(27-21)19-9-3-2-4-10-19/h2-6,8-11,17,22H,7,12-16H2,1H3,(H,26,30).
What are the key properties of 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).