N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide

C22H25F2N3O4S — CID 154940870

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCC(F)(F)C2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C22H25F2N3O4S/c1-14-7-8-16(15-4-3-9-22(23,24)13-15)17(12-14)31-21(10-11-21)20(28)27-32(29,30)19-6-2-5-18(25)26-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H2,25,26)(H,27,28)
InChIKeyGBAHQQNOLBWHEW-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.68
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide (PubChem CID 154940870) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide
PubChem CID154940870
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCC(F)(F)C2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C22H25F2N3O4S/c1-14-7-8-16(15-4-3-9-22(23,24)13-15)17(12-14)31-21(10-11-21)20(28)27-32(29,30)19-6-2-5-18(25)26-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H2,25,26)(H,27,28)
InChIKeyGBAHQQNOLBWHEW-UHFFFAOYSA-N
XLogP3.68
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide 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-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide (CID 154940870) is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide is Cc1ccc(C2CCCC(F)(F)C2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide?
The InChIKey is GBAHQQNOLBWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-14-7-8-16(15-4-3-9-22(23,24)13-15)17(12-14)31-21(10-11-21)20(28)27-32(29,30)19-6-2-5-18(25)26-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H2,25,26)(H,27,28).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 154940870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).