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

C14H22N2OS — CID 47124680

IUPACN-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
SMILESCSc1ccc(CNCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)16-13(17)10-15-9-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyNRZKUAPYYJWSAG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds5

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

N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide (PubChem CID 47124680) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
PubChem CID47124680
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
SMILESCSc1ccc(CNCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)16-13(17)10-15-9-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyNRZKUAPYYJWSAG-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 43401901
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8767584
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
2-ethyl-2-[[(4-methylsulfanylphenyl)methylamino]methyl]butanoic acid
CID 122129227
2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115656215
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2699452
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 115157586

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide (CID 47124680) is N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide is CSc1ccc(CNCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The InChIKey is NRZKUAPYYJWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)16-13(17)10-15-9-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide is sourced from PubChem (CID 47124680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).