4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide

C15H25N3O2S — CID 103417879

IUPAC4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCC(C)CCN(C)c1sc(C(=O)C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H25N3O2S/c1-8(2)6-7-18(5)15-10(14(17)20)11(16)13(21-15)12(19)9(3)4/h8-9H,6-7,16H2,1-5H3,(H2,17,20)
InChIKeyCMMPAIJGMCPOHX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.75
Rot. Bonds7

About 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide

4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide (PubChem CID 103417879) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
PubChem CID103417879
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCC(C)CCN(C)c1sc(C(=O)C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H25N3O2S/c1-8(2)6-7-18(5)15-10(14(17)20)11(16)13(21-15)12(19)9(3)4/h8-9H,6-7,16H2,1-5H3,(H2,17,20)
InChIKeyCMMPAIJGMCPOHX-UHFFFAOYSA-N
XLogP2.75
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422268
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103417765
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193
methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
CID 103420280
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
methyl 4-amino-5-cyano-2-[methyl(3-methylbutyl)amino]thiophene-3-carboxylate
CID 103417875
ethyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103417825
3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103417812

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide (CID 103417879) is 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide is CC(C)CCN(C)c1sc(C(=O)C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The InChIKey is CMMPAIJGMCPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-8(2)6-7-18(5)15-10(14(17)20)11(16)13(21-15)12(19)9(3)4/h8-9H,6-7,16H2,1-5H3,(H2,17,20).
What are the key properties of 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide is sourced from PubChem (CID 103417879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).