2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide

C21H25N3OS — CID 31008586

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NCCc2cn3ccccc3n2)cc1
InChIInChI=1S/C21H25N3OS/c1-21(2,3)16-7-9-18(10-8-16)26-15-20(25)22-12-11-17-14-24-13-5-4-6-19(24)23-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,22,25)
InChIKeyWDCFZXVRDWANPX-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide

2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide (PubChem CID 31008586) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
PubChem CID31008586
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NCCc2cn3ccccc3n2)cc1
InChIInChI=1S/C21H25N3OS/c1-21(2,3)16-7-9-18(10-8-16)26-15-20(25)22-12-11-17-14-24-13-5-4-6-19(24)23-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,22,25)
InChIKeyWDCFZXVRDWANPX-UHFFFAOYSA-N
XLogP4.08
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 31008363
2-(4-ethoxyphenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 42017579
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 41463586
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 37275406
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenoxybutanamide
CID 31008224
4-ethoxy-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429958
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
3-(2-ethoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 31008355
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide (CID 31008586) is 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide is CC(C)(C)c1ccc(SCC(=O)NCCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The InChIKey is WDCFZXVRDWANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-21(2,3)16-7-9-18(10-8-16)26-15-20(25)22-12-11-17-14-24-13-5-4-6-19(24)23-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide has a molecular weight of 367.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 31008586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).