2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

C13H20N2O3S — CID 82056935

IUPAC2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCc1c(C(=O)N(C)C)sc(N)c1C(=O)OCC(C)C
InChIInChI=1S/C13H20N2O3S/c1-7(2)6-18-13(17)9-8(3)10(19-11(9)14)12(16)15(4)5/h7H,6,14H2,1-5H3
InChIKeyWREVDFAWDXLQDJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.15
Rot. Bonds4

About 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 82056935) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID82056935
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCc1c(C(=O)N(C)C)sc(N)c1C(=O)OCC(C)C
InChIInChI=1S/C13H20N2O3S/c1-7(2)6-18-13(17)9-8(3)10(19-11(9)14)12(16)15(4)5/h7H,6,14H2,1-5H3
InChIKeyWREVDFAWDXLQDJ-UHFFFAOYSA-N
XLogP2.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447
2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
CID 82056789
ethyl 5-(dimethylcarbamoyl)-2-[[4-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-4-oxobutanoyl]amino]-4-methylthiophene-3-carboxylate
CID 5143266
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
ethyl 2-[(4-chlorobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 5244334
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
ethyl 5-(dimethylcarbamoyl)-2-(ethoxymethylideneamino)-4-methylthiophene-3-carboxylate
CID 54432745

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 82056935) is 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is Cc1c(C(=O)N(C)C)sc(N)c1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is WREVDFAWDXLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7(2)6-18-13(17)9-8(3)10(19-11(9)14)12(16)15(4)5/h7H,6,14H2,1-5H3.
What are the key properties of 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 82056935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).