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

C24H26N4O4S2 — CID 3231862

IUPACN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O4S2/c1-17-23(26-24(33-17)25-22(29)16-27-11-13-32-14-12-27)19-7-8-21-18(15-19)9-10-28(21)34(30,31)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3,(H,25,26,29)
InChIKeyYLBJBGDKDRUJNN-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.14
Rot. Bonds6

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

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 3231862) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID3231862
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O4S2/c1-17-23(26-24(33-17)25-22(29)16-27-11-13-32-14-12-27)19-7-8-21-18(15-19)9-10-28(21)34(30,31)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3,(H,25,26,29)
InChIKeyYLBJBGDKDRUJNN-UHFFFAOYSA-N
XLogP3.14
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 3231862) is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is YLBJBGDKDRUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-17-23(26-24(33-17)25-22(29)16-27-11-13-32-14-12-27)19-7-8-21-18(15-19)9-10-28(21)34(30,31)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3,(H,25,26,29).
What are the key properties of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 498.63 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3231862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).