N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

C24H27FN6O4S — CID 139509955

IUPACN-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H27FN6O4S/c1-4-24(3,20-10-11-27-23(29-20)31-36(33,34)16-7-8-16)30-22(32)17-9-6-15(12-18(17)25)19-13-26-14-21(28-19)35-5-2/h6,9-14,16H,4-5,7-8H2,1-3H3,(H,30,32)(H,27,29,31)
InChIKeyJOPFRLFSWATYBG-UHFFFAOYSA-N
MW514.58 g/mol
LogP3.43
Rot. Bonds10

About N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 139509955) has the molecular formula C24H27FN6O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID139509955
Molecular FormulaC24H27FN6O4S
Molecular Weight514.58 g/mol
Exact Mass514.18
IUPAC NameN-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H27FN6O4S/c1-4-24(3,20-10-11-27-23(29-20)31-36(33,34)16-7-8-16)30-22(32)17-9-6-15(12-18(17)25)19-13-26-14-21(28-19)35-5-2/h6,9-14,16H,4-5,7-8H2,1-3H3,(H,30,32)(H,27,29,31)
InChIKeyJOPFRLFSWATYBG-UHFFFAOYSA-N
XLogP3.43
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 139509955) is N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(=O)NC(C)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is JOPFRLFSWATYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4S/c1-4-24(3,20-10-11-27-23(29-20)31-36(33,34)16-7-8-16)30-22(32)17-9-6-15(12-18(17)25)19-13-26-14-21(28-19)35-5-2/h6,9-14,16H,4-5,7-8H2,1-3H3,(H,30,32)(H,27,29,31).
What are the key properties of N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 514.58 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 139509955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).