N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide

C23H26N6O4S — CID 139512794

IUPACN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)27-22(30)16-7-5-15(6-8-16)20-13-24-14-21(26-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyGRMMUCGQPJJECP-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.12
Rot. Bonds10

About N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide

N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide (PubChem CID 139512794) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide
PubChem CID139512794
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)27-22(30)16-7-5-15(6-8-16)20-13-24-14-21(26-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyGRMMUCGQPJJECP-UHFFFAOYSA-N
XLogP3.12
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide (CID 139512794) is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide is CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The InChIKey is GRMMUCGQPJJECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)27-22(30)16-7-5-15(6-8-16)20-13-24-14-21(26-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,27,30)(H,25,28,29).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide has a molecular weight of 482.57 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide is sourced from PubChem (CID 139512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).