N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide

C14H21BrN2OS — CID 95773145

IUPACN-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide
SMILESCSC[C@H](C)N(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2OS/c1-10-7-12(5-6-13(10)15)16-14(18)8-17(3)11(2)9-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m0/s1
InChIKeyNAVJQFIEFMAZDJ-NSHDSACASA-N
MW345.31 g/mol
LogP3.38
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide (PubChem CID 95773145) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide
PubChem CID95773145
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide
SMILESCSC[C@H](C)N(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2OS/c1-10-7-12(5-6-13(10)15)16-14(18)8-17(3)11(2)9-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m0/s1
InChIKeyNAVJQFIEFMAZDJ-NSHDSACASA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760060
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962132
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
N-(4-bromo-3-methylphenyl)-3-cyanobutanamide
CID 82124267
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide (CID 95773145) is N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide is CSC[C@H](C)N(C)CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide?
The InChIKey is NAVJQFIEFMAZDJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-10-7-12(5-6-13(10)15)16-14(18)8-17(3)11(2)9-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide has a molecular weight of 345.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 95773145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).