2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide

C20H20F2N4O2S — CID 91408777

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H20F2N4O2S/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyNYUGVRAYNCAKRY-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.88
Rot. Bonds8

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 91408777) has the molecular formula C20H20F2N4O2S and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID91408777
Molecular FormulaC20H20F2N4O2S
Molecular Weight418.47 g/mol
Exact Mass418.13
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H20F2N4O2S/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyNYUGVRAYNCAKRY-UHFFFAOYSA-N
XLogP3.88
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide (CID 91408777) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is NYUGVRAYNCAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2S/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 418.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 91408777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).