(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C13H20N2O2S — CID 7779914

IUPAC(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)N(C)Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyFQULJUHDCWCPCH-GFCCVEGCSA-N
MW268.38 g/mol
LogP1.87
Rot. Bonds5

About (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 7779914) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID7779914
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)N(C)Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyFQULJUHDCWCPCH-GFCCVEGCSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 7779914) is (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(=O)N[C@@H](C(=O)N(C)Cc1cccs1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is FQULJUHDCWCPCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 268.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 7779914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).