ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

C20H18F2N4O4S — CID 118249286

IUPACethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H18F2N4O4S/c1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22/h4-11,26H,3H2,1-2H3,(H,23,25,27)
InChIKeyRJXWZHZKZNKSEQ-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.10
Rot. Bonds6

About ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 118249286) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID118249286
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC Nameethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H18F2N4O4S/c1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22/h4-11,26H,3H2,1-2H3,(H,23,25,27)
InChIKeyRJXWZHZKZNKSEQ-UHFFFAOYSA-N
XLogP4.10
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate 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 ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (CID 118249286) is ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is CCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.
What is the InChIKey of ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is RJXWZHZKZNKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22/h4-11,26H,3H2,1-2H3,(H,23,25,27).
What are the key properties of ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 448.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118249286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).