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

C15H23N3O2S — CID 103421487

IUPAC4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCC(C)C(=O)c1sc(N(C)CC2CCC2)c(C(N)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-8(2)12(19)13-11(16)10(14(17)20)15(21-13)18(3)7-9-5-4-6-9/h8-9H,4-7,16H2,1-3H3,(H2,17,20)
InChIKeyIOMSYIOFAGVGBP-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.50
Rot. Bonds6

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

4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide (PubChem CID 103421487) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
PubChem CID103421487
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCC(C)C(=O)c1sc(N(C)CC2CCC2)c(C(N)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-8(2)12(19)13-11(16)10(14(17)20)15(21-13)18(3)7-9-5-4-6-9/h8-9H,4-7,16H2,1-3H3,(H2,17,20)
InChIKeyIOMSYIOFAGVGBP-UHFFFAOYSA-N
XLogP2.50
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103417879
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103422477
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520
1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide (CID 103421487) is 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide is CC(C)C(=O)c1sc(N(C)CC2CCC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The InChIKey is IOMSYIOFAGVGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-8(2)12(19)13-11(16)10(14(17)20)15(21-13)18(3)7-9-5-4-6-9/h8-9H,4-7,16H2,1-3H3,(H2,17,20).
What are the key properties of 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide?
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide is sourced from PubChem (CID 103421487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).