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

C26H28N4O2S — CID 1450529

IUPACN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)CN5CCCC5)sc4C)ccc32)cc1
InChIInChI=1S/C26H28N4O2S/c1-17-5-7-19(8-6-17)25(32)30-14-11-20-15-21(9-10-22(20)30)24-18(2)33-26(28-24)27-23(31)16-29-12-3-4-13-29/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,28,31)
InChIKeyJXDMPMGYXCTJEF-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.66
Rot. Bonds5

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

N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1450529) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1450529
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC NameN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)CN5CCCC5)sc4C)ccc32)cc1
InChIInChI=1S/C26H28N4O2S/c1-17-5-7-19(8-6-17)25(32)30-14-11-20-15-21(9-10-22(20)30)24-18(2)33-26(28-24)27-23(31)16-29-12-3-4-13-29/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,28,31)
InChIKeyJXDMPMGYXCTJEF-UHFFFAOYSA-N
XLogP4.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 1450529) is N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)CN5CCCC5)sc4C)ccc32)cc1.
What is the InChIKey of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is JXDMPMGYXCTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-17-5-7-19(8-6-17)25(32)30-14-11-20-15-21(9-10-22(20)30)24-18(2)33-26(28-24)27-23(31)16-29-12-3-4-13-29/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,28,31).
What are the key properties of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 460.60 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1450529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).