2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

C24H22ClN3O2S — CID 166631591

IUPAC2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cn(C(=O)c3ccccc3)c3ccc(Cl)cc23)n1
InChIInChI=1S/C24H22ClN3O2S/c1-24(2,3)20-14-31-23(26-20)27-21(29)11-16-13-28(19-10-9-17(25)12-18(16)19)22(30)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3,(H,26,27,29)
InChIKeyLADPVGUGWHVAIW-UHFFFAOYSA-N
MW451.98 g/mol
LogP5.92
Rot. Bonds4

About 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (PubChem CID 166631591) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
PubChem CID166631591
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC Name2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cn(C(=O)c3ccccc3)c3ccc(Cl)cc23)n1
InChIInChI=1S/C24H22ClN3O2S/c1-24(2,3)20-14-31-23(26-20)27-21(29)11-16-13-28(19-10-9-17(25)12-18(16)19)22(30)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3,(H,26,27,29)
InChIKeyLADPVGUGWHVAIW-UHFFFAOYSA-N
XLogP5.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.98
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-chloro-1-(pyrimidin-2-ylmethyl)indol-3-yl]acetamide
CID 166635411
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-chloro-1-(1,2-oxazol-3-ylmethyl)indol-3-yl]acetamide
CID 166628740
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 166629500
2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 142538915
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
CID 166633694
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 166634928
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
2-(2-aminophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 8553866

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (CID 166631591) is 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is CC(C)(C)c1csc(NC(=O)Cc2cn(C(=O)c3ccccc3)c3ccc(Cl)cc23)n1.
What is the InChIKey of 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LADPVGUGWHVAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-24(2,3)20-14-31-23(26-20)27-21(29)11-16-13-28(19-10-9-17(25)12-18(16)19)22(30)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 451.98 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 166631591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).