2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide

C20H18FN5O3S — CID 139503385

IUPAC2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1nc(NS(=O)(=O)C2CC2)ncc1F)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H18FN5O3S/c21-17-12-23-20(26-30(28,29)16-7-8-16)25-18(17)10-19(27)24-15-5-3-13(4-6-15)14-2-1-9-22-11-14/h1-6,9,11-12,16H,7-8,10H2,(H,24,27)(H,23,25,26)
InChIKeyIDCWGJJUBQVAJO-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 139503385) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID139503385
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1nc(NS(=O)(=O)C2CC2)ncc1F)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H18FN5O3S/c21-17-12-23-20(26-30(28,29)16-7-8-16)25-18(17)10-19(27)24-15-5-3-13(4-6-15)14-2-1-9-22-11-14/h1-6,9,11-12,16H,7-8,10H2,(H,24,27)(H,23,25,26)
InChIKeyIDCWGJJUBQVAJO-UHFFFAOYSA-N
XLogP2.76
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide (CID 139503385) is 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide is O=C(Cc1nc(NS(=O)(=O)C2CC2)ncc1F)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is IDCWGJJUBQVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S/c21-17-12-23-20(26-30(28,29)16-7-8-16)25-18(17)10-19(27)24-15-5-3-13(4-6-15)14-2-1-9-22-11-14/h1-6,9,11-12,16H,7-8,10H2,(H,24,27)(H,23,25,26).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 139503385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).