N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H18Cl2N4O3S — CID 166785688

IUPACN-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCCc1ncc(-c2ccnc(NC(C)=O)c2)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2N4O3S/c1-3-17-18(26-30(28,29)19-10-15(21)4-5-16(19)22)8-14(11-24-17)13-6-7-23-20(9-13)25-12(2)27/h4-11,26H,3H2,1-2H3,(H,23,25,27)
InChIKeyTZONMGNGUKZGOR-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.77
Rot. Bonds6

About N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 166785688) has the molecular formula C20H18Cl2N4O3S and a molecular weight of 465.36 g/mol. Its IUPAC name is N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID166785688
Molecular FormulaC20H18Cl2N4O3S
Molecular Weight465.36 g/mol
Exact Mass464.05
IUPAC NameN-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCCc1ncc(-c2ccnc(NC(C)=O)c2)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2N4O3S/c1-3-17-18(26-30(28,29)19-10-15(21)4-5-16(19)22)8-14(11-24-17)13-6-7-23-20(9-13)25-12(2)27/h4-11,26H,3H2,1-2H3,(H,23,25,27)
InChIKeyTZONMGNGUKZGOR-UHFFFAOYSA-N
XLogP4.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 166785688) is N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide is CCc1ncc(-c2ccnc(NC(C)=O)c2)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is TZONMGNGUKZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3S/c1-3-17-18(26-30(28,29)19-10-15(21)4-5-16(19)22)8-14(11-24-17)13-6-7-23-20(9-13)25-12(2)27/h4-11,26H,3H2,1-2H3,(H,23,25,27).
What are the key properties of N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 465.36 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166785688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).