2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

C15H11F2N3OS — CID 53163528

IUPAC2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyBNKOVJSHKLHVCI-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.98
Rot. Bonds3

About 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 53163528) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
PubChem CID53163528
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyBNKOVJSHKLHVCI-UHFFFAOYSA-N
XLogP3.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (CID 53163528) is 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is BNKOVJSHKLHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 319.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).