2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide

C14H22N2O2S — CID 106160802

IUPAC2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCSC(CO)C(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-4-6-12(7-10)16-14(18)8-15-11(2)13(9-17)19-3/h4-7,11,13,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyABGLQNGKLRCGJU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.64
Rot. Bonds7

About 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide

2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 106160802) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
PubChem CID106160802
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCSC(CO)C(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-4-6-12(7-10)16-14(18)8-15-11(2)13(9-17)19-3/h4-7,11,13,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyABGLQNGKLRCGJU-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide
CID 106160874
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methylphenyl)urea
CID 113240160
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide (CID 106160802) is 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide is CSC(CO)C(C)NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is ABGLQNGKLRCGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-4-6-12(7-10)16-14(18)8-15-11(2)13(9-17)19-3/h4-7,11,13,15,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 106160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).