2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C23H22N4O3S — CID 10003042

IUPAC2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(CC(=O)N(C)C(C)c3nccs3)c2c1
InChIInChI=1S/C23H22N4O3S/c1-15(23-24-11-12-31-23)26(2)20(28)14-27-19-13-17(30-3)9-10-18(19)21(25-27)22(29)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
InChIKeyDKWPFOVRHUMOMN-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.95
Rot. Bonds7

About 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 10003042) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID10003042
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(CC(=O)N(C)C(C)c3nccs3)c2c1
InChIInChI=1S/C23H22N4O3S/c1-15(23-24-11-12-31-23)26(2)20(28)14-27-19-13-17(30-3)9-10-18(19)21(25-27)22(29)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
InChIKeyDKWPFOVRHUMOMN-UHFFFAOYSA-N
XLogP3.95
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
1-(3-benzoyl-6-methoxyindazol-1-yl)-3,3-dimethylbutan-2-one
CID 10427954
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 97278275
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 50966738
N-tert-butyl-N-[2-[tert-butyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]ethyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24968309
2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 11756077
N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
CID 10070999
2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide
CID 170857907
N-ethyl-2-(2-methoxycarbazol-9-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 11689145

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 10003042) is 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is COc1ccc2c(C(=O)c3ccccc3)nn(CC(=O)N(C)C(C)c3nccs3)c2c1.
What is the InChIKey of 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is DKWPFOVRHUMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15(23-24-11-12-31-23)26(2)20(28)14-27-19-13-17(30-3)9-10-18(19)21(25-27)22(29)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3.
What are the key properties of 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 10003042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).