N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide

C26H21N3O3S2 — CID 71694887

IUPACN-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cs1
InChIInChI=1S/C26H21N3O3S2/c1-19(30)28(16-20-10-4-2-5-11-20)26-27-24(18-33-26)23-17-29(25-15-9-8-14-22(23)25)34(31,32)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3
InChIKeyPLJYHPHAKISXGW-UHFFFAOYSA-N
MW487.61 g/mol
LogP5.55
Rot. Bonds6

About N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide

N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide (PubChem CID 71694887) has the molecular formula C26H21N3O3S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide
PubChem CID71694887
Molecular FormulaC26H21N3O3S2
Molecular Weight487.61 g/mol
Exact Mass487.10
IUPAC NameN-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cs1
InChIInChI=1S/C26H21N3O3S2/c1-19(30)28(16-20-10-4-2-5-11-20)26-27-24(18-33-26)23-17-29(25-15-9-8-14-22(23)25)34(31,32)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3
InChIKeyPLJYHPHAKISXGW-UHFFFAOYSA-N
XLogP5.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide (CID 71694887) is N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide is CC(=O)N(Cc1ccccc1)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cs1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide?
The InChIKey is PLJYHPHAKISXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S2/c1-19(30)28(16-20-10-4-2-5-11-20)26-27-24(18-33-26)23-17-29(25-15-9-8-14-22(23)25)34(31,32)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3.
What are the key properties of N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide?
N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide has a molecular weight of 487.61 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)indol-3-yl]-1,3-thiazol-2-yl]-N-benzylacetamide is sourced from PubChem (CID 71694887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).