2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide

C24H27N5O4S — CID 139512803

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H27N5O4S/c1-3-19(20-6-5-7-22(27-20)29-34(31,32)18-12-13-18)24(30)26-17-10-8-16(9-11-17)21-14-25-15-23(28-21)33-4-2/h5-11,14-15,18-19H,3-4,12-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyDNKAQTLWUVMZJK-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.97
Rot. Bonds10

About 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide (PubChem CID 139512803) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
PubChem CID139512803
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H27N5O4S/c1-3-19(20-6-5-7-22(27-20)29-34(31,32)18-12-13-18)24(30)26-17-10-8-16(9-11-17)21-14-25-15-23(28-21)33-4-2/h5-11,14-15,18-19H,3-4,12-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyDNKAQTLWUVMZJK-UHFFFAOYSA-N
XLogP3.97
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide 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 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide (CID 139512803) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide is CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is DNKAQTLWUVMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-3-19(20-6-5-7-22(27-20)29-34(31,32)18-12-13-18)24(30)26-17-10-8-16(9-11-17)21-14-25-15-23(28-21)33-4-2/h5-11,14-15,18-19H,3-4,12-13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 481.58 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide is sourced from PubChem (CID 139512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).