N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C12H18N2O3S — CID 39964677

IUPACN-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCON(C)C(=O)[C@H](NC(=O)c1cccs1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)10(12(16)14(3)17-4)13-11(15)9-6-5-7-18-9/h5-8,10H,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyBBXPTFUITOQTFX-SNVBAGLBSA-N
MW270.35 g/mol
LogP1.52
Rot. Bonds5

About N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 39964677) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID39964677
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCON(C)C(=O)[C@H](NC(=O)c1cccs1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)10(12(16)14(3)17-4)13-11(15)9-6-5-7-18-9/h5-8,10H,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyBBXPTFUITOQTFX-SNVBAGLBSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
(1-amino-1-oxopropan-2-yl) 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 45354563
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43057458
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
butyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 156853729
2-methyl-5-[[methyl-[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222474
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 39964677) is N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CON(C)C(=O)[C@H](NC(=O)c1cccs1)C(C)C.
What is the InChIKey of N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is BBXPTFUITOQTFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)10(12(16)14(3)17-4)13-11(15)9-6-5-7-18-9/h5-8,10H,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39964677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).