2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide

C14H23N3O2S — CID 47287881

IUPAC2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H23N3O2S/c1-9(2)5-7-17(4)10(3)13(19)16-14-11(12(15)18)6-8-20-14/h6,8-10H,5,7H2,1-4H3,(H2,15,18)(H,16,19)
InChIKeyGOCVDWKMYOFTOY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide

2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide (PubChem CID 47287881) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
PubChem CID47287881
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H23N3O2S/c1-9(2)5-7-17(4)10(3)13(19)16-14-11(12(15)18)6-8-20-14/h6,8-10H,5,7H2,1-4H3,(H2,15,18)(H,16,19)
InChIKeyGOCVDWKMYOFTOY-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
CID 55432559
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
CID 135959612
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
CID 2553970
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide (CID 47287881) is 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide is CC(C)CCN(C)C(C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide?
The InChIKey is GOCVDWKMYOFTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)5-7-17(4)10(3)13(19)16-14-11(12(15)18)6-8-20-14/h6,8-10H,5,7H2,1-4H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide?
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 47287881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).