2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C21H26ClN3O2S — CID 8766799

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H26ClN3O2S/c1-21(2,3)24-20(27)14-25(4)13-19(26)23-17-7-5-6-8-18(17)28-16-11-9-15(22)10-12-16/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyOWKKWAAHWIKOGN-UHFFFAOYSA-N
MW419.98 g/mol
LogP4.28
Rot. Bonds7

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 8766799) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID8766799
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H26ClN3O2S/c1-21(2,3)24-20(27)14-25(4)13-19(26)23-17-7-5-6-8-18(17)28-16-11-9-15(22)10-12-16/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyOWKKWAAHWIKOGN-UHFFFAOYSA-N
XLogP4.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712133
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[methyl-(1-oxothian-4-yl)amino]acetamide
CID 75534068
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 8768024
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide
CID 8767484
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 8766688
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8756684
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8009037
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 8766799) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is OWKKWAAHWIKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2S/c1-21(2,3)24-20(27)14-25(4)13-19(26)23-17-7-5-6-8-18(17)28-16-11-9-15(22)10-12-16/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 419.98 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 8766799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).