3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

C20H21N3O2S — CID 119058488

IUPAC3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2cccc(-c3ccc(C(C)=O)s3)c2)c1C
InChIInChI=1S/C20H21N3O2S/c1-4-23-13(2)17(12-22-23)11-21-20(25)16-7-5-6-15(10-16)19-9-8-18(26-19)14(3)24/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyNVELPSSEFYBIMU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.07
Rot. Bonds6

About 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 119058488) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
PubChem CID119058488
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2cccc(-c3ccc(C(C)=O)s3)c2)c1C
InChIInChI=1S/C20H21N3O2S/c1-4-23-13(2)17(12-22-23)11-21-20(25)16-7-5-6-15(10-16)19-9-8-18(26-19)14(3)24/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyNVELPSSEFYBIMU-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (CID 119058488) is 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is CCn1ncc(CNC(=O)c2cccc(-c3ccc(C(C)=O)s3)c2)c1C.
What is the InChIKey of 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is NVELPSSEFYBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-23-13(2)17(12-22-23)11-21-20(25)16-7-5-6-15(10-16)19-9-8-18(26-19)14(3)24/h5-10,12H,4,11H2,1-3H3,(H,21,25).
What are the key properties of 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetylthiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 119058488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).