4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide

C11H15NO3S — CID 97340263

IUPAC4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(C(C)=O)cs1
InChIInChI=1S/C11H15NO3S/c1-3-9(5-13)12-11(15)10-4-8(6-16-10)7(2)14/h4,6,9,13H,3,5H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyRAYKTZRTMUMPOW-VIFPVBQESA-N
MW241.31 g/mol
LogP1.45
Rot. Bonds5

About 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide

4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide (PubChem CID 97340263) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
PubChem CID97340263
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(C(C)=O)cs1
InChIInChI=1S/C11H15NO3S/c1-3-9(5-13)12-11(15)10-4-8(6-16-10)7(2)14/h4,6,9,13H,3,5H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyRAYKTZRTMUMPOW-VIFPVBQESA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide (CID 97340263) is 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide is CC[C@@H](CO)NC(=O)c1cc(C(C)=O)cs1.
What is the InChIKey of 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide?
The InChIKey is RAYKTZRTMUMPOW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-9(5-13)12-11(15)10-4-8(6-16-10)7(2)14/h4,6,9,13H,3,5H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide?
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97340263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).