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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Related Compounds

N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
4-[(Diethylamino)methyl]-2-thiophenecarboxamide
CID 804148
N-butyl-2-methyl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 49790269
1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-N-(2-((2-thienylcarbonyl)amino)ethyl)-, monohydrochloride
CID 14306930
N-{2-[(4-methylcyclohexyl)amino]ethyl}thiophene-2-carboxamide
CID 3156892
2,2,5,5-tetramethyl-N-[2-(thiophene-2-carbonylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 14306929
2-(5-acetyl-3-thienyl)-N-(3-thienylmethyl)acetamide
CID 28139556
2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46948165
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
N-[(3R*,4S*)-1-acetyl-4-isopropyl-3-pyrrolidinyl]-5-isopropyl-3-thiophenecarboxamide
CID 72853456
N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 46943689

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).