(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide

C20H39N3O5S — CID 59880175

IUPAC(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide
SMILESCC(=O)[C@@H](CN(C)S(C)(=O)=O)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C20H39N3O5S/c1-13(2)11-15(16(14(3)24)12-23(9)29(10,27)28)18(25)21-17(20(4,5)6)19(26)22(7)8/h13,15-17H,11-12H2,1-10H3,(H,21,25)/t15-,16-,17-/m1/s1
InChIKeyUBGIPQLYEBWASY-BRWVUGGUSA-N
MW433.62 g/mol
LogP1.36
Rot. Bonds10

About (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide

(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide (PubChem CID 59880175) has the molecular formula C20H39N3O5S and a molecular weight of 433.62 g/mol. Its IUPAC name is (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide
PubChem CID59880175
Molecular FormulaC20H39N3O5S
Molecular Weight433.62 g/mol
Exact Mass433.26
IUPAC Name(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide
SMILESCC(=O)[C@@H](CN(C)S(C)(=O)=O)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C20H39N3O5S/c1-13(2)11-15(16(14(3)24)12-23(9)29(10,27)28)18(25)21-17(20(4,5)6)19(26)22(7)8/h13,15-17H,11-12H2,1-10H3,(H,21,25)/t15-,16-,17-/m1/s1
InChIKeyUBGIPQLYEBWASY-BRWVUGGUSA-N
XLogP1.36
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide with MolForge

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Related Compounds

(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide
CID 59886784
(2R)-4-methyl-2-[(2R)-3-[methyl(methylsulfonyl)amino]-1-oxo-1-phenylmethoxypropan-2-yl]pentanoic acid
CID 54057924
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10619360
CID 59930128
CID 59930128
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
CID 118241937
benzyl (2R)-2-[2-[[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methylpentanoate
CID 56982290
N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
CID 54385621
ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
CID 142008467
[1-[[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]phosphonic acid
CID 101210571

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide?
The IUPAC name of (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide (CID 59880175) is (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide.
What is the SMILES notation for (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide?
The canonical SMILES for (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide is CC(=O)[C@@H](CN(C)S(C)(=O)=O)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide?
The InChIKey is UBGIPQLYEBWASY-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H39N3O5S/c1-13(2)11-15(16(14(3)24)12-23(9)29(10,27)28)18(25)21-17(20(4,5)6)19(26)22(7)8/h13,15-17H,11-12H2,1-10H3,(H,21,25)/t15-,16-,17-/m1/s1.
What are the key properties of (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide?
(2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide has a molecular weight of 433.62 g/mol, XLogP of 1.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-(2-methylpropyl)-4-oxopentanamide is sourced from PubChem (CID 59880175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).