5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide

C14H20N2O2S — CID 47018582

IUPAC5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H20N2O2S/c1-3-16-8-4-5-11(16)9-15-14(18)13-7-6-12(19-13)10(2)17/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyJINMCDZQSBSHBS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.16
Rot. Bonds5

About 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 47018582) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID47018582
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H20N2O2S/c1-3-16-8-4-5-11(16)9-15-14(18)13-7-6-12(19-13)10(2)17/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyJINMCDZQSBSHBS-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide (CID 47018582) is 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide is CCN1CCCC1CNC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is JINMCDZQSBSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16-8-4-5-11(16)9-15-14(18)13-7-6-12(19-13)10(2)17/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47018582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).