N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide

C33H28N4O5S — CID 162488369

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c3c(OC(C)c4ccccc4)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C33H28N4O5S/c1-19-16-17-27(41-21(3)22-10-5-4-6-11-22)30-24(33(38)37-43(39,40)29-15-9-14-28(34)36-29)18-25(35-31(19)30)32-20(2)23-12-7-8-13-26(23)42-32/h4-18,21H,1-3H3,(H2,34,36)(H,37,38)
InChIKeyWDVNWRNRSSPIDB-UHFFFAOYSA-N
MW592.68 g/mol
LogP6.50
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide (PubChem CID 162488369) has the molecular formula C33H28N4O5S and a molecular weight of 592.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide
PubChem CID162488369
Molecular FormulaC33H28N4O5S
Molecular Weight592.68 g/mol
Exact Mass592.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c3c(OC(C)c4ccccc4)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C33H28N4O5S/c1-19-16-17-27(41-21(3)22-10-5-4-6-11-22)30-24(33(38)37-43(39,40)29-15-9-14-28(34)36-29)18-25(35-31(19)30)32-20(2)23-12-7-8-13-26(23)42-32/h4-18,21H,1-3H3,(H2,34,36)(H,37,38)
InChIKeyWDVNWRNRSSPIDB-UHFFFAOYSA-N
XLogP6.50
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-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]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide (CID 162488369) is N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c3c(OC(C)c4ccccc4)ccc(C)c3n2)oc2ccccc12.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide?
The InChIKey is WDVNWRNRSSPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O5S/c1-19-16-17-27(41-21(3)22-10-5-4-6-11-22)30-24(33(38)37-43(39,40)29-15-9-14-28(34)36-29)18-25(35-31(19)30)32-20(2)23-12-7-8-13-26(23)42-32/h4-18,21H,1-3H3,(H2,34,36)(H,37,38).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide has a molecular weight of 592.68 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(1-phenylethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 162488369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).