4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide

C11H16N2O2S — CID 119521663

IUPAC4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC(C)(C)CN)c1
InChIInChI=1S/C11H16N2O2S/c1-7(14)8-4-9(16-5-8)10(15)13-11(2,3)6-12/h4-5H,6,12H2,1-3H3,(H,13,15)
InChIKeyOCXKUVHSBWOTCX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.42
Rot. Bonds4

About 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide

4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 119521663) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
PubChem CID119521663
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC(C)(C)CN)c1
InChIInChI=1S/C11H16N2O2S/c1-7(14)8-4-9(16-5-8)10(15)13-11(2,3)6-12/h4-5H,6,12H2,1-3H3,(H,13,15)
InChIKeyOCXKUVHSBWOTCX-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide (CID 119521663) is 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NC(C)(C)CN)c1.
What is the InChIKey of 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is OCXKUVHSBWOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(14)8-4-9(16-5-8)10(15)13-11(2,3)6-12/h4-5H,6,12H2,1-3H3,(H,13,15).
What are the key properties of 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide?
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 119521663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).