2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide

C14H22N2OS — CID 106312729

IUPAC2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-18-3)16-14(17)13(15)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyDMEFDIJZLJDKIW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide

2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide (PubChem CID 106312729) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
PubChem CID106312729
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-18-3)16-14(17)13(15)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyDMEFDIJZLJDKIW-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312349
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide
CID 106312995
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 106312233
2-amino-N-(1-ethylsulfanylpropan-2-yl)-2-(4-methylphenyl)acetamide
CID 114150574
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
(2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]hexanoic acid
CID 106312836
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide (CID 106312729) is 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide is CCC(CSC)NC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is DMEFDIJZLJDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-12(9-18-3)16-14(17)13(15)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 106312729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).