N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide

C15H23ClN2OS — CID 8767484

IUPACN-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide
SMILESCN(CCSc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2OS/c1-15(2,3)17-14(19)11-18(4)9-10-20-13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyZZJCTKXHXBUCDX-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.28
Rot. Bonds6

About N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide

N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide (PubChem CID 8767484) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide
PubChem CID8767484
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide
SMILESCN(CCSc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2OS/c1-15(2,3)17-14(19)11-18(4)9-10-20-13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyZZJCTKXHXBUCDX-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 8766799
4-[[2-(4-chlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
CID 9124093
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709895
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
2-[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197603
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 8768024
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 35363009
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 8636937
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide (CID 8767484) is N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide is CN(CCSc1ccc(Cl)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide?
The InChIKey is ZZJCTKXHXBUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-15(2,3)17-14(19)11-18(4)9-10-20-13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide?
N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide has a molecular weight of 314.88 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide is sourced from PubChem (CID 8767484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).