2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide

C20H23N3O2S — CID 50952302

IUPAC2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCc1csc(CNC(=O)C(CC)n2cc(C(C)=O)c3ccccc32)n1
InChIInChI=1S/C20H23N3O2S/c1-4-14-12-26-19(22-14)10-21-20(25)17(5-2)23-11-16(13(3)24)15-8-6-7-9-18(15)23/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyQCKUKANIGMTKOC-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.13
Rot. Bonds7

About 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide

2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 50952302) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID50952302
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCc1csc(CNC(=O)C(CC)n2cc(C(C)=O)c3ccccc32)n1
InChIInChI=1S/C20H23N3O2S/c1-4-14-12-26-19(22-14)10-21-20(25)17(5-2)23-11-16(13(3)24)15-8-6-7-9-18(15)23/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyQCKUKANIGMTKOC-UHFFFAOYSA-N
XLogP4.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide (CID 50952302) is 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide is CCc1csc(CNC(=O)C(CC)n2cc(C(C)=O)c3ccccc32)n1.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is QCKUKANIGMTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-14-12-26-19(22-14)10-21-20(25)17(5-2)23-11-16(13(3)24)15-8-6-7-9-18(15)23/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,21,25).
What are the key properties of 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide?
2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 369.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 50952302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).