N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C25H26N4O2S — CID 1383835

IUPACN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCCC4)n3)ccc21
InChIInChI=1S/C25H26N4O2S/c1-17-6-2-3-7-20(17)24(31)29-13-10-19-14-18(8-9-22(19)29)21-16-32-25(26-21)27-23(30)15-28-11-4-5-12-28/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,26,27,30)
InChIKeyBIDGVGXHWJJDNN-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.36
Rot. Bonds5

About N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1383835) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1383835
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCCC4)n3)ccc21
InChIInChI=1S/C25H26N4O2S/c1-17-6-2-3-7-20(17)24(31)29-13-10-19-14-18(8-9-22(19)29)21-16-32-25(26-21)27-23(30)15-28-11-4-5-12-28/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,26,27,30)
InChIKeyBIDGVGXHWJJDNN-UHFFFAOYSA-N
XLogP4.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 1383835) is N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCCC4)n3)ccc21.
What is the InChIKey of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is BIDGVGXHWJJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-6-2-3-7-20(17)24(31)29-13-10-19-14-18(8-9-22(19)29)21-16-32-25(26-21)27-23(30)15-28-11-4-5-12-28/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,26,27,30).
What are the key properties of N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 446.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).