N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide

C12H18N2O3S — CID 71865619

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cc(OC)cs1)C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-4-7(2)10(11(13)15)14-12(16)9-5-8(17-3)6-18-9/h5-7,10H,4H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCEQAMSPYUQPMLO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.39
Rot. Bonds6

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 71865619) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
PubChem CID71865619
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cc(OC)cs1)C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-4-7(2)10(11(13)15)14-12(16)9-5-8(17-3)6-18-9/h5-7,10H,4H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCEQAMSPYUQPMLO-UHFFFAOYSA-N
XLogP1.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide (CID 71865619) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide is CCC(C)C(NC(=O)c1cc(OC)cs1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is CEQAMSPYUQPMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-7(2)10(11(13)15)14-12(16)9-5-8(17-3)6-18-9/h5-7,10H,4H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 71865619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).