2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide

C20H21N3O2S — CID 52916404

IUPAC2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(NC(=O)C(C)c2ccc(C(=O)c3ccccc3)s2)c(C)n1
InChIInChI=1S/C20H21N3O2S/c1-4-23-12-16(14(3)22-23)21-20(25)13(2)17-10-11-18(26-17)19(24)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyCXOSOVJWDIRYDT-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.25
Rot. Bonds6

About 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide

2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide (PubChem CID 52916404) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
PubChem CID52916404
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(NC(=O)C(C)c2ccc(C(=O)c3ccccc3)s2)c(C)n1
InChIInChI=1S/C20H21N3O2S/c1-4-23-12-16(14(3)22-23)21-20(25)13(2)17-10-11-18(26-17)19(24)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyCXOSOVJWDIRYDT-UHFFFAOYSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide (CID 52916404) is 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide is CCn1cc(NC(=O)C(C)c2ccc(C(=O)c3ccccc3)s2)c(C)n1.
What is the InChIKey of 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The InChIKey is CXOSOVJWDIRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-23-12-16(14(3)22-23)21-20(25)13(2)17-10-11-18(26-17)19(24)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,21,25).
What are the key properties of 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide has a molecular weight of 367.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 52916404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).